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

C10H12N2O3 — CID 83858508

IUPAC1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCC2)nc(=O)[nH]1
InChIInChI=1S/C10H12N2O3/c1-6-5-7(12-9(15)11-6)10(8(13)14)3-2-4-10/h5H,2-4H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyOBXYFZWEMFCTMQ-UHFFFAOYSA-N
MW208.22 g/mol
LogP0.58
Rot. Bonds2

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

1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid (PubChem CID 83858508) has the molecular formula C10H12N2O3 and a molecular weight of 208.22 g/mol. Its IUPAC name is 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid.

Molecular Properties

Compound Name1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid
PubChem CID83858508
Molecular FormulaC10H12N2O3
Molecular Weight208.22 g/mol
Exact Mass208.08
IUPAC Name1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid
SMILESCc1cc(C2(C(=O)O)CCC2)nc(=O)[nH]1
InChIInChI=1S/C10H12N2O3/c1-6-5-7(12-9(15)11-6)10(8(13)14)3-2-4-10/h5H,2-4H2,1H3,(H,13,14)(H,11,12,15)
InChIKeyOBXYFZWEMFCTMQ-UHFFFAOYSA-N
XLogP0.58
TPSA83.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

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-(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)cyclopropane-1-carboxylic acid
CID 83858507
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclopentane-1-carboxylic acid
CID 83858509
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclohexane-1-carboxylic acid
CID 83858510
3-methyl-2-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 83858512
3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 83858526
2-methyl-3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)propanoic acid
CID 83858527
3-methyl-3-(6-methyl-2-oxo-1H-pyrimidin-4-yl)butanoic acid
CID 83858528

Frequently Asked Questions

What is the IUPAC name of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid?
The IUPAC name of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid (CID 83858508) is 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid.
What is the SMILES notation for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid?
The canonical SMILES for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid is Cc1cc(C2(C(=O)O)CCC2)nc(=O)[nH]1.
What is the InChIKey of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid?
The InChIKey is OBXYFZWEMFCTMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O3/c1-6-5-7(12-9(15)11-6)10(8(13)14)3-2-4-10/h5H,2-4H2,1H3,(H,13,14)(H,11,12,15).
What are the key properties of 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid?
1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid has a molecular weight of 208.22 g/mol, XLogP of 0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methyl-2-oxo-1H-pyrimidin-4-yl)cyclobutane-1-carboxylic acid is sourced from PubChem (CID 83858508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).