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

C15H16N6 — CID 5328347

IUPAC6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(N(C)C)nc23)c1
InChIInChI=1S/C15H16N6/c1-10-5-4-6-11(7-10)19-14-13-12(17-9-18-14)8-16-15(20-13)21(2)3/h4-9H,1-3H3,(H,17,18,19)
InChIKeyXQLOYQBOLORUIS-UHFFFAOYSA-N
MW280.34 g/mol
LogP2.54
Rot. Bonds3

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

6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (PubChem CID 5328347) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
PubChem CID5328347
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(N(C)C)nc23)c1
InChIInChI=1S/C15H16N6/c1-10-5-4-6-11(7-10)19-14-13-12(17-9-18-14)8-16-15(20-13)21(2)3/h4-9H,1-3H3,(H,17,18,19)
InChIKeyXQLOYQBOLORUIS-UHFFFAOYSA-N
XLogP2.54
TPSA66.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine (CID 5328347) is 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc3cnc(N(C)C)nc23)c1.
What is the InChIKey of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
The InChIKey is XQLOYQBOLORUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c1-10-5-4-6-11(7-10)19-14-13-12(17-9-18-14)8-16-15(20-13)21(2)3/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine?
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine has a molecular weight of 280.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).