6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

C16H17N5 — CID 44531577

IUPAC6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1nc2nc(N)nc(N)c2c(C)c1Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-9-12(8-11-6-4-3-5-7-11)10(2)19-15-13(9)14(17)20-16(18)21-15/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)
InChIKeyXTOAUYFLPKMDSN-UHFFFAOYSA-N
MW279.35 g/mol
LogP2.40
Rot. Bonds2

About 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine

6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (PubChem CID 44531577) has the molecular formula C16H17N5 and a molecular weight of 279.35 g/mol. Its IUPAC name is 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
PubChem CID44531577
Molecular FormulaC16H17N5
Molecular Weight279.35 g/mol
Exact Mass279.15
IUPAC Name6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine
SMILESCc1nc2nc(N)nc(N)c2c(C)c1Cc1ccccc1
InChIInChI=1S/C16H17N5/c1-9-12(8-11-6-4-3-5-7-11)10(2)19-15-13(9)14(17)20-16(18)21-15/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21)
InChIKeyXTOAUYFLPKMDSN-UHFFFAOYSA-N
XLogP2.40
TPSA90.71 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.35
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The IUPAC name of 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine (CID 44531577) is 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The canonical SMILES for 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is Cc1nc2nc(N)nc(N)c2c(C)c1Cc1ccccc1.
What is the InChIKey of 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
The InChIKey is XTOAUYFLPKMDSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5/c1-9-12(8-11-6-4-3-5-7-11)10(2)19-15-13(9)14(17)20-16(18)21-15/h3-7H,8H2,1-2H3,(H4,17,18,19,20,21).
What are the key properties of 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine?
6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine has a molecular weight of 279.35 g/mol, XLogP of 2.40, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 44531577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).