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

C7H7ClN2O3 — CID 83852134

IUPAC2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid
SMILESCn1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C7H7ClN2O3/c1-10-4(3-6(11)12)2-5(8)9-7(10)13/h2H,3H2,1H3,(H,11,12)
InChIKeyKVMCSJMNFHAPGT-UHFFFAOYSA-N
MW202.60 g/mol
LogP0.06
Rot. Bonds2

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

2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid (PubChem CID 83852134) has the molecular formula C7H7ClN2O3 and a molecular weight of 202.60 g/mol. Its IUPAC name is 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid.

Molecular Properties

Compound Name2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid
PubChem CID83852134
Molecular FormulaC7H7ClN2O3
Molecular Weight202.60 g/mol
Exact Mass202.01
IUPAC Name2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid
SMILESCn1c(CC(=O)O)cc(Cl)nc1=O
InChIInChI=1S/C7H7ClN2O3/c1-10-4(3-6(11)12)2-5(8)9-7(10)13/h2H,3H2,1H3,(H,11,12)
InChIKeyKVMCSJMNFHAPGT-UHFFFAOYSA-N
XLogP0.06
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.60
LogP ≤ 50.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-1-yl)propanoic acid hydrochloride
CID 16417864
3-(4,6-Dimethyl-2-oxo-2H-pyrimidin-1-yl)-propionic acid
CID 6484627
2-(3-Methyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851811
2-(3-Ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83851903
2-(4-chloro-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851969
2-(2-Oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852047
2-(6-Chloro-3-ethyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852345
2-(6-Chloro-3-cyclopropyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852527
2-(6-Chloro-2-oxo-3-propan-2-ylpyrimidin-4-yl)acetic acid
CID 83852567
2-(6-Chloro-3-cyclobutyl-2-oxopyrimidin-4-yl)acetic acid
CID 83852723
2-(3-Tert-butyl-6-chloro-2-oxopyrimidin-4-yl)acetic acid
CID 83852761
2-[6-Chloro-3-(2-methylpropyl)-2-oxopyrimidin-4-yl]acetic acid
CID 83852762

Frequently Asked Questions

What is the IUPAC name of 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
The IUPAC name of 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid (CID 83852134) is 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid.
What is the SMILES notation for 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
The canonical SMILES for 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid is Cn1c(CC(=O)O)cc(Cl)nc1=O.
What is the InChIKey of 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
The InChIKey is KVMCSJMNFHAPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClN2O3/c1-10-4(3-6(11)12)2-5(8)9-7(10)13/h2H,3H2,1H3,(H,11,12).
What are the key properties of 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid?
2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid has a molecular weight of 202.60 g/mol, XLogP of 0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-methyl-2-oxopyrimidin-4-yl)acetic acid is sourced from PubChem (CID 83852134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).