1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

C12H16N2O3 — CID 114992281

IUPAC1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C)n(C2(C(=O)O)CCCC2)c(=O)n1
InChIInChI=1S/C12H16N2O3/c1-8-7-9(2)14(11(17)13-8)12(10(15)16)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyCQNNRDMAHIOSCK-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.21
Rot. Bonds2

About 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid

1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (PubChem CID 114992281) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
PubChem CID114992281
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid
SMILESCc1cc(C)n(C2(C(=O)O)CCCC2)c(=O)n1
InChIInChI=1S/C12H16N2O3/c1-8-7-9(2)14(11(17)13-8)12(10(15)16)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,15,16)
InChIKeyCQNNRDMAHIOSCK-UHFFFAOYSA-N
XLogP1.21
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-(4,6-dimethyl-2-oxo-1H-pyrimidin-5-yl)acetyl]amino]cyclopentane-1-carboxylic acid
CID 43172484
3-[4,6-Dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid
CID 64686418
1-{[(6-Tert-butyl-2-oxo-2,3-dihydropyrimidin-4-yl)carbonyl]amino}cyclopentanecarboxylic acid
CID 86284505
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-methylpentanoic acid
CID 114990597
2-(4,6-Dimethyl-2-oxopyrimidin-1-yl)-2-ethylbutanoic acid
CID 114990598
2-Cyclopropyl-2-(4,6-dimethyl-2-oxopyrimidin-1-yl)propanoic acid
CID 114992282

Frequently Asked Questions

What is the IUPAC name of 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The IUPAC name of 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid (CID 114992281) is 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is Cc1cc(C)n(C2(C(=O)O)CCCC2)c(=O)n1.
What is the InChIKey of 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
The InChIKey is CQNNRDMAHIOSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-7-9(2)14(11(17)13-8)12(10(15)16)5-3-4-6-12/h7H,3-6H2,1-2H3,(H,15,16).
What are the key properties of 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid?
1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid has a molecular weight of 236.27 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,6-dimethyl-2-oxopyrimidin-1-yl)cyclopentane-1-carboxylic acid is sourced from PubChem (CID 114992281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).