2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid

C10H12N2O3 — CID 137159066

IUPAC2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESCc1nc(CC(=O)O)[nH]c(=O)c1C1CC1
InChIInChI=1S/C10H12N2O3/c1-5-9(6-2-3-6)10(15)12-7(11-5)4-8(13)14/h6H,2-4H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyUKOUTTBLCUAZNO-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.58
Rot. Bonds3

About 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid

2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid (PubChem CID 137159066) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid.

Molecular Properties

Compound Name2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
PubChem CID137159066
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid
SMILESCc1nc(CC(=O)O)[nH]c(=O)c1C1CC1
InChIInChI=1S/C10H12N2O3/c1-5-9(6-2-3-6)10(15)12-7(11-5)4-8(13)14/h6H,2-4H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyUKOUTTBLCUAZNO-UHFFFAOYSA-N
XLogP0.58
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.22
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-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

5-cyclopropyl-4-methyl-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 139016979
3-(5-cyclopropyl-6-methyl-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl)propanoic acid
CID 64918600
2-(4-methyl-5-nitro-1H-imidazol-2-yl)acetic acid
CID 137219104
5-cyclopropyl-2-iodo-6-oxo-1H-pyrimidine-4-carboxylic acid
CID 143326587
2-(5-cyclopropyl-2-methyl-1,3-oxazol-4-yl)acetic acid
CID 90095766
2-(2-cyclopropyl-4-methyl-1,3-oxazol-5-yl)acetic acid
CID 82125302
2-(4-oxo-5,6,8,9-tetrahydro-3H-oxepino[4,5-d]pyrimidin-2-yl)acetic acid
CID 136699527
2-(6,7-diethoxy-4-oxo-3H-quinazolin-2-yl)acetic acid
CID 135443739
5-cyclopentyl-4-hydroxy-2-[(2-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 115926310
2-(4-oxo-3,5,6,8-tetrahydrothiopyrano[3,4-d]pyrimidin-2-yl)acetic acid
CID 136699610
2-(4,5-diethyl-1H-imidazol-2-yl)acetic acid
CID 105440018
2-[2-[(3,5-dimethylphenoxy)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetic acid
CID 136743690

Frequently Asked Questions

What is the IUPAC name of 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The IUPAC name of 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid (CID 137159066) is 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid.
What is the SMILES notation for 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The canonical SMILES for 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid is Cc1nc(CC(=O)O)[nH]c(=O)c1C1CC1.
What is the InChIKey of 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
The InChIKey is UKOUTTBLCUAZNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-5-9(6-2-3-6)10(15)12-7(11-5)4-8(13)14/h6H,2-4H2,1H3,(H,13,14)(H,11,12,15).
What are the key properties of 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid?
2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid has a molecular weight of 208.22 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-cyclopropyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)acetic acid is sourced from PubChem (CID 137159066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).