2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

C19H30N4 — CID 46225999

IUPAC2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(NCC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H30N4/c1-12(2)21-17-4-13(3)22-18(23-17)20-11-19-8-14-5-15(9-19)7-16(6-14)10-19/h4,12,14-16H,5-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyOIXGPYSCZNCAFD-UHFFFAOYSA-N
MW314.48 g/mol
LogP4.23
Rot. Bonds5

About 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine

2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 46225999) has the molecular formula C19H30N4 and a molecular weight of 314.48 g/mol. Its IUPAC name is 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
PubChem CID46225999
Molecular FormulaC19H30N4
Molecular Weight314.48 g/mol
Exact Mass314.25
IUPAC Name2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
SMILESCc1cc(NC(C)C)nc(NCC23CC4CC(CC(C4)C2)C3)n1
InChIInChI=1S/C19H30N4/c1-12(2)21-17-4-13(3)22-18(23-17)20-11-19-8-14-5-15(9-19)7-16(6-14)10-19/h4,12,14-16H,5-11H2,1-3H3,(H2,20,21,22,23)
InChIKeyOIXGPYSCZNCAFD-UHFFFAOYSA-N
XLogP4.23
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.48
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1-adamantyl)-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 66740859
4-(1-Adamantyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 44568923
2-N,4-N-dicyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46225979
Adamantan-2-yl-(5-methyl-tetrazolo[1,5-a]pyrimidin-7-yl)-amine
CID 651364
2-N-cyclohexyl-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 46225981
4-N-cyclohexyl-2-N-heptyl-6-methylpyrimidine-2,4-diamine
CID 46225998
4-N-cyclohexyl-6-methyl-2-N-propan-2-ylpyrimidine-2,4-diamine
CID 46226008
2-N-(1-adamantylmethyl)-4-N-cyclohexyl-6-methylpyrimidine-2,4-diamine
CID 46226014
N-(1-adamantyl)-4,6-dimethylpyrimidin-2-amine
CID 9816567
4-N-cyclohexyl-6-[(E)-2-(2,6,6-trimethylcyclohexen-1-yl)ethenyl]pyrimidine-2,4-diamine
CID 23583645
2-N-(1-adamantyl)-6-methylpyrimidine-2,4-diamine
CID 44272446
2,4-Pyrimidinediamine, N,N'-bis(1,3-dimethylbutyl)-6-methyl-
CID 5276751

Frequently Asked Questions

What is the IUPAC name of 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine (CID 46225999) is 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is Cc1cc(NC(C)C)nc(NCC23CC4CC(CC(C4)C2)C3)n1.
What is the InChIKey of 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is OIXGPYSCZNCAFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4/c1-12(2)21-17-4-13(3)22-18(23-17)20-11-19-8-14-5-15(9-19)7-16(6-14)10-19/h4,12,14-16H,5-11H2,1-3H3,(H2,20,21,22,23).
What are the key properties of 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine?
2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 314.48 g/mol, XLogP of 4.23, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-adamantylmethyl)-6-methyl-4-N-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 46225999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).