4-Amino-2-methyl-5-pyrimidinemethanamine

HCID 66762CAS 101080-48-2

Substructure search Find similar structures

Basic information

Standard SMILES: Cc1ncc(CN)c(N)n1
InChIKey: OZOHTVFCSKFMLL-UHFFFAOYSA-N
Molecular formula: C6H10N4
Average molar mass: 138.17 g/mol
Monoisotopic mass: 138.09054632

Overview

4-amino-5-aminomethyl-2-methylpyrimidine is an aminopyrimidine compound having its amino substituent at the 4-position together with methyl and aminomethyl substituents at the 2- and 5-positions respectively. It is a conjugate base of a 4-amino-5-ammoniomethyl-2-methylpyrimidine.

Names & identifiers

Preferred name: 4-Amino-2-methyl-5-pyrimidinemethanamine
IUPAC: 5-(aminomethyl)-2-methylpyrimidin-4-amine
English name: 4-Amino-5-Aminomethyl-2-Methylpyrimiine
Molecular formula: C6H10N4
Molecular weight: 138.17

Names & synonyms

95-02-34-AMINO-5-AMINOMETHYL-2-METHYLPYRIMIDINE2-Methyl-4-amino-5-aminomethylpyrimidine4-AMINO-2-METHYL-5-PYRIMIDINEMETHANAMINEEU1UNR0P28CHEBI:44549DTXSID40241713RefChem:97783DTXCID70164204202-384-75-(AMINOMETHYL)-2-METHYLPYRIMIDIN-4-AMINE4-Amino-2-methylpyrimidine-5-methylamine

Show more names

N5,2-Dimethylpyrimidine-4,5-diamineN5,2-Dimethyl-4,5-pyrimidinediamine4,5-Pyrimidinediamine,N5,2-dimethyl-4-Amino-5-(methylamino)-2-methylpyrimidinePyrimidine, 4-amino-2-methyl-5-methylamino-Pyrimidine, 4-amino-2-methyl-5-methylamino- (6CI)

5-Pyrimidinemethanamine, 4-amino-2-methyl-GREWE DIAMINEEINECS 202-384-7MFCD000788804-Amino-5-Aminomethyl-2-Methylpyrimiine4-Amino-5-(aminomethyl)-2-methylpyrimidineDB032045-(Aminomethyl)-2-methyl-4-pyrimidinamine

Database identifiers

CAS: 101080-48-2、95-02-3
PubChem CID: 66762
DTXSID: DTXSID40241713
ChEBI: CHEBI:44549
UNII: EU1UNR0P28
EC Number: 202-384-7
Nikkaji: J27.937D

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 77.8 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 1
Heavy atoms: 10
Formal charge: 0
Complexity: 106

Experimental & physicochemical properties

DrugsPharmaceuticals -> Listed in ZINC15

Physicochemical properties

Boiling point: 287.3 · 287.3±25.0 °C(Predicted)
Density: 1.213 · 1.213±0.06 g/cm3(Predicted)
storage temp.: 20 °C · −20°C
pka: 7.62 · 7.62±0.10(Predicted)

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H315 (80%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P272, P280, P302+P352, P305+P351+P338, P305+P354+P338, P317, P321, P332+P317, P333+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 5 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.