3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid

C9H10N2O4 — CID 83852230

IUPAC3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)n(C2CC2)c(=O)n1
InChIInChI=1S/C9H10N2O4/c1-15-7-4-6(8(12)13)11(5-2-3-5)9(14)10-7/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyMPZUPAACFINRJS-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.28
Rot. Bonds3

About 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid

3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid (PubChem CID 83852230) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid
PubChem CID83852230
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid
SMILESCOc1cc(C(=O)O)n(C2CC2)c(=O)n1
InChIInChI=1S/C9H10N2O4/c1-15-7-4-6(8(12)13)11(5-2-3-5)9(14)10-7/h4-5H,2-3H2,1H3,(H,12,13)
InChIKeyMPZUPAACFINRJS-UHFFFAOYSA-N
XLogP0.28
TPSA81.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-cyclopropyl-6-methoxy-1-oxoisoquinoline-3-carboxylic acid
CID 172901532
1-(4-hydroxycyclohexyl)-5-methoxy-4-oxopyridine-2-carboxylic acid
CID 114201623
1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidine-3-carboxylic acid
CID 115354736
1-cyclopropyl-4-ethyl-2-oxopyrimidine-5-carboxylic acid
CID 116851846
2-cyclopentyl-6-methoxypyrimidine-4-carboxylic acid
CID 83822786
5-(4-bromo-3-methoxyphenyl)-1-cyclopropylpyrrole-2-carboxylic acid
CID 107622885
5-cyclopropyl-2-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 83102585
1-cyclopropyl-6-methoxy-3-methyl-4-oxoquinoline-2-carboxylic acid
CID 82247794
2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852527
6-methoxy-2-(1-methylpyrrolidin-3-yl)pyrimidine-4-carboxylic acid
CID 116862342
2-[1-(4,6-dimethoxypyrimidin-2-yl)pyrrolidin-2-yl]acetic acid
CID 115354718
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid (CID 83852230) is 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid is COc1cc(C(=O)O)n(C2CC2)c(=O)n1.
What is the InChIKey of 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid?
The InChIKey is MPZUPAACFINRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-15-7-4-6(8(12)13)11(5-2-3-5)9(14)10-7/h4-5H,2-3H2,1H3,(H,12,13).
What are the key properties of 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid?
3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid has a molecular weight of 210.19 g/mol, XLogP of 0.28, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid is sourced from PubChem (CID 83852230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).