4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine

C18H27N5O — CID 71738404

IUPAC4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2c(C)noc2C)nc(NC2CCCCC2)c1C
InChIInChI=1S/C18H27N5O/c1-11-12(2)20-18(19-10-16-13(3)23-24-14(16)4)22-17(11)21-15-8-6-5-7-9-15/h15H,5-10H2,1-4H3,(H2,19,20,21,22)
InChIKeyWUDBMVZWGFJMRE-UHFFFAOYSA-N
MW329.45 g/mol
LogP4.05
Rot. Bonds5

About 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine

4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine (PubChem CID 71738404) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine
PubChem CID71738404
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine
SMILESCc1nc(NCc2c(C)noc2C)nc(NC2CCCCC2)c1C
InChIInChI=1S/C18H27N5O/c1-11-12(2)20-18(19-10-16-13(3)23-24-14(16)4)22-17(11)21-15-8-6-5-7-9-15/h15H,5-10H2,1-4H3,(H2,19,20,21,22)
InChIKeyWUDBMVZWGFJMRE-UHFFFAOYSA-N
XLogP4.05
TPSA75.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-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

Frequently Asked Questions

What is the IUPAC name of 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine (CID 71738404) is 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine is Cc1nc(NCc2c(C)noc2C)nc(NC2CCCCC2)c1C.
What is the InChIKey of 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is WUDBMVZWGFJMRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-11-12(2)20-18(19-10-16-13(3)23-24-14(16)4)22-17(11)21-15-8-6-5-7-9-15/h15H,5-10H2,1-4H3,(H2,19,20,21,22).
What are the key properties of 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine?
4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 329.45 g/mol, XLogP of 4.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-cyclohexyl-2-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 71738404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).