2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

C16H16N6O — CID 175650429

IUPAC2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(c1ncnc3ncccc13)CC2
InChIInChI=1S/C16H16N6O/c1-10-20-13-5-7-22(8-12(13)16(23)21(10)2)15-11-4-3-6-17-14(11)18-9-19-15/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyHJLVTDLFQQLYMV-UHFFFAOYSA-N
MW308.34 g/mol
LogP0.99
Rot. Bonds1

About 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one

2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (PubChem CID 175650429) has the molecular formula C16H16N6O and a molecular weight of 308.34 g/mol. Its IUPAC name is 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
PubChem CID175650429
Molecular FormulaC16H16N6O
Molecular Weight308.34 g/mol
Exact Mass308.14
IUPAC Name2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one
SMILESCc1nc2c(c(=O)n1C)CN(c1ncnc3ncccc13)CC2
InChIInChI=1S/C16H16N6O/c1-10-20-13-5-7-22(8-12(13)16(23)21(10)2)15-11-4-3-6-17-14(11)18-9-19-15/h3-4,6,9H,5,7-8H2,1-2H3
InChIKeyHJLVTDLFQQLYMV-UHFFFAOYSA-N
XLogP0.99
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 50.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The IUPAC name of 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one (CID 175650429) is 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is Cc1nc2c(c(=O)n1C)CN(c1ncnc3ncccc13)CC2.
What is the InChIKey of 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
The InChIKey is HJLVTDLFQQLYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O/c1-10-20-13-5-7-22(8-12(13)16(23)21(10)2)15-11-4-3-6-17-14(11)18-9-19-15/h3-4,6,9H,5,7-8H2,1-2H3.
What are the key properties of 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one?
2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one has a molecular weight of 308.34 g/mol, XLogP of 0.99, 1 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-6-pyrido[2,3-d]pyrimidin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 175650429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).