6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

C15H16N6 — CID 15295223

IUPAC6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1ncc2ncnc(Nc3cccc(C)c3)c2n1
InChIInChI=1S/C15H16N6/c1-3-16-15-17-8-12-13(21-15)14(19-9-18-12)20-11-6-4-5-10(2)7-11/h4-9H,3H2,1-2H3,(H,16,17,21)(H,18,19,20)
InChIKeyDFYZGBHZLSFUMY-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.90
Rot. Bonds4

About 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine

6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 15295223) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID15295223
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCCNc1ncc2ncnc(Nc3cccc(C)c3)c2n1
InChIInChI=1S/C15H16N6/c1-3-16-15-17-8-12-13(21-15)14(19-9-18-12)20-11-6-4-5-10(2)7-11/h4-9H,3H2,1-2H3,(H,16,17,21)(H,18,19,20)
InChIKeyDFYZGBHZLSFUMY-UHFFFAOYSA-N
XLogP2.90
TPSA75.62 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 15295223) is 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is CCNc1ncc2ncnc(Nc3cccc(C)c3)c2n1.
What is the InChIKey of 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is DFYZGBHZLSFUMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-3-16-15-17-8-12-13(21-15)14(19-9-18-12)20-11-6-4-5-10(2)7-11/h4-9H,3H2,1-2H3,(H,16,17,21)(H,18,19,20).
What are the key properties of 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 280.34 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 15295223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).