2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid

C9H9ClN2O3 — CID 83852527

IUPAC2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(=O)n1C1CC1
InChIInChI=1S/C9H9ClN2O3/c10-7-3-6(4-8(13)14)12(5-1-2-5)9(15)11-7/h3,5H,1-2,4H2,(H,13,14)
InChIKeyBUGJVOHFHVVRNN-UHFFFAOYSA-N
MW228.63 g/mol
LogP0.86
Rot. Bonds3

About 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid

2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852527) has the molecular formula C9H9ClN2O3 and a molecular weight of 228.63 g/mol. Its IUPAC name is 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852527
Molecular FormulaC9H9ClN2O3
Molecular Weight228.63 g/mol
Exact Mass228.03
IUPAC Name2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
SMILESO=C(O)Cc1cc(Cl)nc(=O)n1C1CC1
InChIInChI=1S/C9H9ClN2O3/c10-7-3-6(4-8(13)14)12(5-1-2-5)9(15)11-7/h3,5H,1-2,4H2,(H,13,14)
InChIKeyBUGJVOHFHVVRNN-UHFFFAOYSA-N
XLogP0.86
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.63
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(aminomethyl)-4-chloro-1-cyclohexylpyrimidin-2-one
CID 83852712
6-(2-aminoethyl)-4-chloro-1-cyclobutylpyrimidin-2-one
CID 83852519
2-(6-chloro-1-cyclopropyl-8-methyl-4-oxoquinolin-2-yl)acetic acid
CID 82250952
2-(3-cyclobutyl-2,6-dioxopyrimidin-4-yl)acetic acid
CID 83852450
2-(1-cyclopropyl-8-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82246114
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796
2-(1-cyclopropyl-7-methoxy-4-oxoquinolin-2-yl)acetic acid
CID 82247796
2-(1-cyclopentyl-7-fluoro-4-oxoquinolin-2-yl)acetic acid
CID 82250433
3-cyclopropyl-6-methoxy-2-oxopyrimidine-4-carboxylic acid
CID 83852230
2-chloro-1-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842368
2-chloro-3-cyclopropylbenzimidazole-5-carboxylic acid
CID 83842367
7-chloro-1-cyclopropyl-2-fluoro-4-oxo-1,8-naphthyridine-3-carboxylic acid
CID 19828517

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852527) is 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid is O=C(O)Cc1cc(Cl)nc(=O)n1C1CC1.
What is the InChIKey of 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is BUGJVOHFHVVRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2O3/c10-7-3-6(4-8(13)14)12(5-1-2-5)9(15)11-7/h3,5H,1-2,4H2,(H,13,14).
What are the key properties of 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid?
2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 228.63 g/mol, XLogP of 0.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).