6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

C17H20N6 — CID 71463581

IUPAC6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCC(C)c1ccc(N(C)c2cnc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)
InChIKeyCRSDIJKYSOUKQH-UHFFFAOYSA-N
MW308.39 g/mol
LogP3.08
Rot. Bonds3

About 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine

6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine (PubChem CID 71463581) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
PubChem CID71463581
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine
SMILESCC(C)c1ccc(N(C)c2cnc3nc(N)nc(N)c3c2)cc1
InChIInChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22)
InChIKeyCRSDIJKYSOUKQH-UHFFFAOYSA-N
XLogP3.08
TPSA93.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-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-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine (CID 71463581) is 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine is CC(C)c1ccc(N(C)c2cnc3nc(N)nc(N)c3c2)cc1.
What is the InChIKey of 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
The InChIKey is CRSDIJKYSOUKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-10(2)11-4-6-12(7-5-11)23(3)13-8-14-15(18)21-17(19)22-16(14)20-9-13/h4-10H,1-3H3,(H4,18,19,20,21,22).
What are the key properties of 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine?
6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine has a molecular weight of 308.39 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-6-N-(4-propan-2-ylphenyl)pyrido[2,3-d]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 71463581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).