2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid

C11H11N3O4 — CID 118436888

IUPAC2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid
SMILESCOc1cc(C)c2c(=O)n(CC(=O)O)cnc2n1
InChIInChI=1S/C11H11N3O4/c1-6-3-7(18-2)13-10-9(6)11(17)14(5-12-10)4-8(15)16/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeyBNHWAVNKSCTZNX-UHFFFAOYSA-N
MW249.23 g/mol
LogP0.19
Rot. Bonds3

About 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid

2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid (PubChem CID 118436888) has the molecular formula C11H11N3O4 and a molecular weight of 249.23 g/mol. Its IUPAC name is 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid.

Molecular Properties

Compound Name2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid
PubChem CID118436888
Molecular FormulaC11H11N3O4
Molecular Weight249.23 g/mol
Exact Mass249.07
IUPAC Name2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid
SMILESCOc1cc(C)c2c(=O)n(CC(=O)O)cnc2n1
InChIInChI=1S/C11H11N3O4/c1-6-3-7(18-2)13-10-9(6)11(17)14(5-12-10)4-8(15)16/h3,5H,4H2,1-2H3,(H,15,16)
InChIKeyBNHWAVNKSCTZNX-UHFFFAOYSA-N
XLogP0.19
TPSA94.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.23
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-ethyl-5-methyl-6-oxopyrimidin-1-yl)acetic acid
CID 131346163
2-(3-ethyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetic acid
CID 53213954
2-(13-methyl-6-oxo-11-piperidin-1-yl-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,10,12-pentaen-5-yl)acetic acid
CID 53369120
2-(5-bromo-4-oxothieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 129219198
2-[5-(4-chloro-3-methylphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetic acid
CID 28899617
2-(7-oxo-2,4,6-triazatricyclo[8.5.0.03,8]pentadeca-1,3(8),4,9-tetraen-6-yl)acetic acid
CID 53213449
2-(6-methoxybenzimidazol-1-yl)acetic acid
CID 84778979
6-methoxy-2,4-dimethylpyridine-3-carboxylic acid
CID 3446565
3-[5-(4-methoxy-3-methylphenyl)-6-methyl-4-oxothieno[2,3-d]pyrimidin-3-yl]propanoic acid
CID 28900889
2-(7-methylbenzimidazol-1-yl)acetic acid
CID 11735640
3-[2-(2,4-dimethoxyphenyl)-2-oxoethyl]-5,6-dimethylthieno[2,3-d]pyrimidin-4-one
CID 7885678
2-(6-methylimidazo[4,5-b]pyridin-3-yl)acetic acid
CID 82061378

Frequently Asked Questions

What is the IUPAC name of 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid?
The IUPAC name of 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid (CID 118436888) is 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid.
What is the SMILES notation for 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid?
The canonical SMILES for 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid is COc1cc(C)c2c(=O)n(CC(=O)O)cnc2n1.
What is the InChIKey of 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid?
The InChIKey is BNHWAVNKSCTZNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O4/c1-6-3-7(18-2)13-10-9(6)11(17)14(5-12-10)4-8(15)16/h3,5H,4H2,1-2H3,(H,15,16).
What are the key properties of 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid?
2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid has a molecular weight of 249.23 g/mol, XLogP of 0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxy-5-methyl-4-oxopyrido[2,3-d]pyrimidin-3-yl)acetic acid is sourced from PubChem (CID 118436888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).