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

C9H12N2O3 — CID 82469194

IUPAC4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)nc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-6-5-7(11-9(14)10-6)3-2-4-8(12)13/h5H,2-4H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyBELPHURISMBJSH-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.49
Rot. Bonds4

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

4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid (PubChem CID 82469194) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid.

Molecular Properties

Compound Name4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
PubChem CID82469194
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC Name4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
SMILESCc1cc(CCCC(=O)O)nc(=O)[nH]1
InChIInChI=1S/C9H12N2O3/c1-6-5-7(11-9(14)10-6)3-2-4-8(12)13/h5H,2-4H2,1H3,(H,12,13)(H,10,11,14)
InChIKeyBELPHURISMBJSH-UHFFFAOYSA-N
XLogP0.49
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-5-yl)propanoic acid
CID 18801927
3-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)-2-methylpropanoic acid
CID 65293976
3-(4,6-Dimethyl-2-oxo-1,2-dihydropyrimidin-5-yl)propanoic acid hydrochloride
CID 71756564
2-(4,6-diethyl-2-oxo-1H-pyrimidin-5-yl)acetic acid
CID 79218415
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
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858503
2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 83858504
2-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858506
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid
CID 83858508
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid
CID 83858509
3-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 83858512

Frequently Asked Questions

What is the IUPAC name of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
The IUPAC name of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid (CID 82469194) is 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid.
What is the SMILES notation for 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
The canonical SMILES for 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid is Cc1cc(CCCC(=O)O)nc(=O)[nH]1.
What is the InChIKey of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
The InChIKey is BELPHURISMBJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-6-5-7(11-9(14)10-6)3-2-4-8(12)13/h5H,2-4H2,1H3,(H,12,13)(H,10,11,14).
What are the key properties of 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid?
4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid has a molecular weight of 196.21 g/mol, XLogP of 0.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid is sourced from PubChem (CID 82469194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).