4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one

C16H16N4O2 — CID 52933362

IUPAC4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one
SMILESCNc1nc(-c2ccc(OC)cc2)c2c(=O)n(C)ccc2n1
InChIInChI=1S/C16H16N4O2/c1-17-16-18-12-8-9-20(2)15(21)13(12)14(19-16)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3,(H,17,18,19)
InChIKeyZPJLTKVTAUQPCV-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.05
Rot. Bonds3

About 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one

4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one (PubChem CID 52933362) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one.

Molecular Properties

Compound Name4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one
PubChem CID52933362
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one
SMILESCNc1nc(-c2ccc(OC)cc2)c2c(=O)n(C)ccc2n1
InChIInChI=1S/C16H16N4O2/c1-17-16-18-12-8-9-20(2)15(21)13(12)14(19-16)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3,(H,17,18,19)
InChIKeyZPJLTKVTAUQPCV-UHFFFAOYSA-N
XLogP2.05
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
The IUPAC name of 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one (CID 52933362) is 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one.
What is the SMILES notation for 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
The canonical SMILES for 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one is CNc1nc(-c2ccc(OC)cc2)c2c(=O)n(C)ccc2n1.
What is the InChIKey of 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
The InChIKey is ZPJLTKVTAUQPCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-17-16-18-12-8-9-20(2)15(21)13(12)14(19-16)10-4-6-11(22-3)7-5-10/h4-9H,1-3H3,(H,17,18,19).
What are the key properties of 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one?
4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one has a molecular weight of 296.33 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methoxyphenyl)-6-methyl-2-(methylamino)pyrido[4,3-d]pyrimidin-5-one is sourced from PubChem (CID 52933362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).