2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid

C8H10N2O3 — CID 84658320

IUPAC2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCc1cnc(C(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4-3-9-6(10-7(4)11)5(2)8(12)13/h3,5H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyFOOSTVQPBSDXPH-UHFFFAOYSA-N
MW182.18 g/mol
LogP0.27
Rot. Bonds2

About 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid

2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 84658320) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
PubChem CID84658320
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCc1cnc(C(C)C(=O)O)[nH]c1=O
InChIInChI=1S/C8H10N2O3/c1-4-3-9-6(10-7(4)11)5(2)8(12)13/h3,5H,1-2H3,(H,12,13)(H,9,10,11)
InChIKeyFOOSTVQPBSDXPH-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-Methyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 295779
2-Cyclopropyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 49652006
2-Ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid hydrochloride
CID 132354266
2-Ethyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 21473456
2-(5-fluoro-6-oxo-1H-pyrimidin-2-yl)acetic acid
CID 84038851
(6-Oxo-1,6-dihydropyrimidin-2-yl)acetic acid
CID 12420733
2-Butyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 19370808
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
6-Oxo-2-(propan-2-yl)-1,6-dihydropyrimidine-5-carboxylic acid
CID 30031661
2-Tert-butyl-6-oxo-1,6-dihydropyrimidine-5-carboxylic acid
CID 59356612
6-Oxo-2-propyl-1,6-dihydropyrimidine-5-carboxylic acid
CID 62022273
6-oxo-2-pentyl-1H-pyrimidine-5-carboxylic acid
CID 68137321

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid (CID 84658320) is 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid is Cc1cnc(C(C)C(=O)O)[nH]c1=O.
What is the InChIKey of 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is FOOSTVQPBSDXPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c1-4-3-9-6(10-7(4)11)5(2)8(12)13/h3,5H,1-2H3,(H,12,13)(H,9,10,11).
What are the key properties of 2-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
2-(5-methyl-6-oxo-1H-pyrimidin-2-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-(5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 84658320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).