2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid

C8H10N2O3 — CID 83858503

IUPAC2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4-3-6(5(2)7(11)12)10-8(13)9-4/h3,5H,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyPBXQQGSAEHAOAP-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.27
Rot. Bonds2

About 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid

2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid (PubChem CID 83858503) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid.

Molecular Properties

Compound Name2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
PubChem CID83858503
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
SMILESCc1cc(C(C)C(=O)O)nc(=O)[nH]1
InChIInChI=1S/C8H10N2O3/c1-4-3-6(5(2)7(11)12)10-8(13)9-4/h3,5H,1-2H3,(H,11,12)(H,9,10,13)
InChIKeyPBXQQGSAEHAOAP-UHFFFAOYSA-N
XLogP0.27
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Hydroxy-6-isobutylpyrimidine-4-carboxylic acid
CID 6484120
6-(2-methylpropyl)-2-oxo-1H-pyrimidine-4-carboxylate
CID 7219734
6-Isopropyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid
CID 16876432
6-Isobutyl-2-oxo-1,2-dihydropyrimidine-4-carboxylic acid hydrochloride
CID 71308010
6-Isobutyl-2-oxo-1,2-dihydro-4-pyrimidinecarboxylic acid hydrate
CID 75530618
6-butan-2-yl-2-oxo-1H-pyrimidine-4-carboxylic acid
CID 81345800
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)acetic acid
CID 82468023
3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 82468378
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 82469194
2-oxo-6-propyl-1H-pyrimidine-4-carboxylic acid
CID 82637017
2-(4-ethyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83851905
2-(4-cyclopropyl-2-oxo-1H-pyrimidin-6-yl)acetic acid
CID 83852014

Frequently Asked Questions

What is the IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The IUPAC name of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid (CID 83858503) is 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid.
What is the SMILES notation for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The canonical SMILES for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid is Cc1cc(C(C)C(=O)O)nc(=O)[nH]1.
What is the InChIKey of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
The InChIKey is PBXQQGSAEHAOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-3-6(5(2)7(11)12)10-8(13)9-4/h3,5H,1-2H3,(H,11,12)(H,9,10,13).
What are the key properties of 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid?
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid has a molecular weight of 182.18 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid is sourced from PubChem (CID 83858503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).