2,4-Diamino-5-adamantyl-6-methylpyrimidine
Basic information
- CAS
31935-08-7- Standard SMILES
Cc1nc(N)nc(N)c1C12CC3CC(CC(C3)C1)C2- InChIKey
XOMGENVDQWACIS-UHFFFAOYSA-N- Molecular formula
- C15H22N4
- Average molar mass
- 258.36 g/mol
- Monoisotopic mass
- 258.18444672
Names & identifiers
- Preferred name
- 2,4-Diamino-5-adamantyl-6-methylpyrimidine
- IUPAC
- 5-(1-adamantyl)-6-methylpyrimidine-2,4-diamine
- English name
- 2,4-diamino-5-adamantyl-6-methylpyrimidine
- Molecular formula
- C15H22N4
- Molecular weight
- 258.36
Names & synonyms
2,4-DAMP2,4-Diamino-5-adamantyl-6-methylpyrimidine31935-08-746OQZ743OPDTXSID401857692,4-Pyrimidinediamine, 6-methyl-5-tricyclo(3.3.1.13,7)dec-1-yl-RefChem:82246DTXCID301082605-(ADAMANTAN-1-YL)-6-METHYLPYRIMIDINE-2,4-DIAMINEUNII-46OQZ743OP2,4-Diamino-5-(1-adamantyl)-6-methylpyrimidineCHEMBL135657
Show more names
2,4-Pyrimidinediamine, 6-methyl-5-tricyclo[3.3.1.13,7]dec-1-yl-
SCHEMBL89034105-ADAMANTYL-2,4-DIAMINO-6-METHYLPYRIMIDINE6-METHYL-5-TRICYCLO(3.3.1.13,7)DEC-1-YL-2,4-PYRIMIDINEDIAMINE
Database identifiers
- CAS
31935-08-7- PubChem CID
- 64287
- DTXSID
DTXSID40185769- ChEMBL
CHEMBL135657- UNII
- 46OQZ743OP
- Nikkaji
- J389.005H
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 77.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 328
Experimental & physicochemical properties
LogP2.64
Physicochemical properties
- Boiling point
- 484.2 · 484.2±47.0 °C(Predicted)
- Density
- 1.256 · 1.256±0.06 g/cm3(Predicted)
- pka
- 7.99 · 7.99±0.10(Predicted)
- FDA UNII
- 46 OQZ743OP · 46OQZ743OP
Chemistry & industry
Pharmacology
MeSH Pharmacological Classification
Substances that inhibit or prevent the proliferation of NEOPLASMS.
Inhibitors of the enzyme, dihydrofolate reductase (TETRAHYDROFOLATE DEHYDROGENASE), which converts dihydrofolate (FH2) to tetrahydrofolate (FH4). They are frequently used in cancer chemotherapy. (From AMA, Drug Evaluations Annual, 1994, p2033)
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Compound notes
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