6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

C15H15N5 — CID 5328376

IUPAC6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(Nc3cccc(C)c3)ncnc2cn1
InChIInChI=1S/C15H15N5/c1-10-4-3-5-11(6-10)20-15-12-7-14(16-2)17-8-13(12)18-9-19-15/h3-9H,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyCCLWZSQAMSFYER-UHFFFAOYSA-N
MW265.32 g/mol
LogP3.12
Rot. Bonds3

About 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine

6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328376) has the molecular formula C15H15N5 and a molecular weight of 265.32 g/mol. Its IUPAC name is 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328376
Molecular FormulaC15H15N5
Molecular Weight265.32 g/mol
Exact Mass265.13
IUPAC Name6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1cc2c(Nc3cccc(C)c3)ncnc2cn1
InChIInChI=1S/C15H15N5/c1-10-4-3-5-11(6-10)20-15-12-7-14(16-2)17-8-13(12)18-9-19-15/h3-9H,1-2H3,(H,16,17)(H,18,19,20)
InChIKeyCCLWZSQAMSFYER-UHFFFAOYSA-N
XLogP3.12
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328376) is 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is CNc1cc2c(Nc3cccc(C)c3)ncnc2cn1.
What is the InChIKey of 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is CCLWZSQAMSFYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5/c1-10-4-3-5-11(6-10)20-15-12-7-14(16-2)17-8-13(12)18-9-19-15/h3-9H,1-2H3,(H,16,17)(H,18,19,20).
What are the key properties of 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 265.32 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).