3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid

C8H10N2O4 — CID 105451282

IUPAC3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCc1c(O)nc(CCC(=O)O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-7(13)9-5(10-8(4)14)2-3-6(11)12/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeyHUNLNNRSUZNFNN-UHFFFAOYSA-N
MW198.18 g/mol
LogP-0.20
Rot. Bonds3

About 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid

3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid (PubChem CID 105451282) has the molecular formula C8H10N2O4 and a molecular weight of 198.18 g/mol. Its IUPAC name is 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid.

Molecular Properties

Compound Name3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
PubChem CID105451282
Molecular FormulaC8H10N2O4
Molecular Weight198.18 g/mol
Exact Mass198.06
IUPAC Name3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid
SMILESCc1c(O)nc(CCC(=O)O)[nH]c1=O
InChIInChI=1S/C8H10N2O4/c1-4-7(13)9-5(10-8(4)14)2-3-6(11)12/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14)
InChIKeyHUNLNNRSUZNFNN-UHFFFAOYSA-N
XLogP-0.20
TPSA103.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.18
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The IUPAC name of 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid (CID 105451282) is 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid.
What is the SMILES notation for 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The canonical SMILES for 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid is Cc1c(O)nc(CCC(=O)O)[nH]c1=O.
What is the InChIKey of 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
The InChIKey is HUNLNNRSUZNFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O4/c1-4-7(13)9-5(10-8(4)14)2-3-6(11)12/h2-3H2,1H3,(H,11,12)(H2,9,10,13,14).
What are the key properties of 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid?
3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid has a molecular weight of 198.18 g/mol, XLogP of -0.20, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-hydroxy-5-methyl-6-oxo-1H-pyrimidin-2-yl)propanoic acid is sourced from PubChem (CID 105451282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).