6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

C16H13N3O5 — CID 4969413

IUPAC6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1
InChIInChI=1S/C16H13N3O5/c1-19-14-11(15(22)18-16(19)23)5-8(7-17-14)13(21)10-6-9(24-2)3-4-12(10)20/h3-7,20H,1-2H3,(H,18,22,23)
InChIKeyRPXJIBBLPFKTRM-UHFFFAOYSA-N
MW327.30 g/mol
LogP0.57
Rot. Bonds3

About 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione

6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 4969413) has the molecular formula C16H13N3O5 and a molecular weight of 327.30 g/mol. Its IUPAC name is 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID4969413
Molecular FormulaC16H13N3O5
Molecular Weight327.30 g/mol
Exact Mass327.09
IUPAC Name6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(O)c(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1
InChIInChI=1S/C16H13N3O5/c1-19-14-11(15(22)18-16(19)23)5-8(7-17-14)13(21)10-6-9(24-2)3-4-12(10)20/h3-7,20H,1-2H3,(H,18,22,23)
InChIKeyRPXJIBBLPFKTRM-UHFFFAOYSA-N
XLogP0.57
TPSA114.28 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.30
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione (CID 4969413) is 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(O)c(C(=O)c2cnc3c(c2)c(=O)[nH]c(=O)n3C)c1.
What is the InChIKey of 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is RPXJIBBLPFKTRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O5/c1-19-14-11(15(22)18-16(19)23)5-8(7-17-14)13(21)10-6-9(24-2)3-4-12(10)20/h3-7,20H,1-2H3,(H,18,22,23).
What are the key properties of 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 327.30 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxy-5-methoxybenzoyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 4969413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).