6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

C16H18N6O — CID 22540408

IUPAC6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(Nc3cc(C)on3)c2N)c1
InChIInChI=1S/C16H18N6O/c1-9-4-10(2)6-12(5-9)20-15-14(17)16(19-8-18-15)21-13-7-11(3)23-22-13/h4-8H,17H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyNWPOBQIWJGRFKZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.46
Rot. Bonds4

About 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine

6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (PubChem CID 22540408) has the molecular formula C16H18N6O and a molecular weight of 310.36 g/mol. Its IUPAC name is 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.

Molecular Properties

Compound Name6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
PubChem CID22540408
Molecular FormulaC16H18N6O
Molecular Weight310.36 g/mol
Exact Mass310.15
IUPAC Name6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
SMILESCc1cc(C)cc(Nc2ncnc(Nc3cc(C)on3)c2N)c1
InChIInChI=1S/C16H18N6O/c1-9-4-10(2)6-12(5-9)20-15-14(17)16(19-8-18-15)21-13-7-11(3)23-22-13/h4-8H,17H2,1-3H3,(H2,18,19,20,21,22)
InChIKeyNWPOBQIWJGRFKZ-UHFFFAOYSA-N
XLogP3.46
TPSA101.89 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine 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 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The IUPAC name of 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine (CID 22540408) is 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine.
What is the SMILES notation for 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The canonical SMILES for 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is Cc1cc(C)cc(Nc2ncnc(Nc3cc(C)on3)c2N)c1.
What is the InChIKey of 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
The InChIKey is NWPOBQIWJGRFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N6O/c1-9-4-10(2)6-12(5-9)20-15-14(17)16(19-8-18-15)21-13-7-11(3)23-22-13/h4-8H,17H2,1-3H3,(H2,18,19,20,21,22).
What are the key properties of 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine?
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine has a molecular weight of 310.36 g/mol, XLogP of 3.46, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine is sourced from PubChem (CID 22540408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).