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HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 344373Generated: October 23, 2026

Pyrimidin-5-amine

PYRIMIDIN-5-AMINE · 5-Pyrimidinamine · 5-Aminopyrimidine · PYRIMIDIN-5-YLAMINE · 5-Aminopyrimidine >5-Aminopyrimidine?New · 5-Pyrimidinamine (9CI) · 5-AMINOPYRIMIDINE (MFCD · 5-AMINOPYRIMIDINE ISO 9001：2015 REACH

https://huagongshe.com/en/chemical/344373

Pyrimidin-5-amine molecular structure

Identifiers & Physical Properties

CAS No.591-55-9
Molecular formulaC4H5N3
Average molar mass95.1 g/mol
Monoisotopic mass95.04834716 g/mol
SMILESNc1cncnc1
InChIKeyFVLAYJRLBLHIPV-UHFFFAOYSA-N
PubChem CID344373
ChEBICHEBI:38619
EC No.640-485-1
DTXSIDDTXSID20322438

Chemical & Physical Properties

XLogP-0.7
Topological polar surface area51.8
Hydrogen bond donors1
Hydrogen bond acceptors3
Rotatable bonds0
Heavy atoms7
Formal charge0
Complexity48.9
Melting point171°C(lit.)
Boiling point240.7±13.0 °C(Predicted)
Density1.216±0.06 g/cm3(Predicted)
Storage conditionsKeep in dark place,Inert atmosphere,Room temperature
Physical statepowder to crystal
pKa (acidity coefficient)2+-.0.10(Predicted)
ColorWhite to Light yellow
λmax315nm(EtOH)(lit.)
InChIInChI=1S/C4H5N3/c5-4-1-6-3-7-2-4/h1-3H,5H2
InChIKeyFVLAYJRLBLHIPV-UHFFFAOYSA-N
SMILESC1=NC=C(N)C=N1
UNSPSC Code12352100
NACRESNA.22
GHS pictogramGHS07
Signal wordWarning
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P264-P270-P301+P312-P302+P352-P305+P351+P338
Target organsRespiratory system
Hazard symbolsXi,Xn
Risk statements (R)22-36/37/38
Safety statements (S)26
Water hazard class (WGK)3
Hazard classIRRITANT-HARMFULAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Customs code2933599590
Storage class11 - Combustible Solids

Safety & Regulations

GHS classificationWarningH302 (97.8%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard Classes and CategoriesAcute Tox. 4 (97.8%)
Water hazard class (WGK)3
Customs code2933599590
Risk statements (R)22-36/37/38
Signal wordWarning
GHS pictogramGHS07
Hazard symbolsXi,Xn
Safety statements (S)26
Hazard classIRRITANT-HARMFULAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3
Storage class11 - Combustible Solids
Target organsRespiratory system
GHS hazard statementsH302-H315-H319-H335
GHS precautionary statementsP261-P264-P270-P301+P312-P302+P352-P305+P351+P338

Applications & Uses

Uses

5-Aminopyrimidine is a biochemical reagent that can be used as a biological material or organic compound for life science related research.