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

C16H17N5 — CID 5328377

IUPAC6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(N(C)C)cc23)c1
InChIInChI=1S/C16H17N5/c1-11-5-4-6-12(7-11)20-16-13-8-15(21(2)3)17-9-14(13)18-10-19-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeySSOSNGLIBSWZMG-UHFFFAOYSA-N
MW279.35 g/mol
LogP3.14
Rot. Bonds3

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

6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (PubChem CID 5328377) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
PubChem CID5328377
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc3cnc(N(C)C)cc23)c1
InChIInChI=1S/C16H17N5/c1-11-5-4-6-12(7-11)20-16-13-8-15(21(2)3)17-9-14(13)18-10-19-16/h4-10H,1-3H3,(H,18,19,20)
InChIKeySSOSNGLIBSWZMG-UHFFFAOYSA-N
XLogP3.14
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine (CID 5328377) is 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc3cnc(N(C)C)cc23)c1.
What is the InChIKey of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is SSOSNGLIBSWZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-11-5-4-6-12(7-11)20-16-13-8-15(21(2)3)17-9-14(13)18-10-19-16/h4-10H,1-3H3,(H,18,19,20).
What are the key properties of 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine?
6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 279.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N,6-N-dimethyl-4-N-(3-methylphenyl)pyrido[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 5328377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).