2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

C13H18N2O3 — CID 43327738

IUPAC2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C2CCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-11(7-12(16)17)9(2)15(13(18)14-8)10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,16,17)
InChIKeyFRYKUSKDTCKFPX-UHFFFAOYSA-N
MW250.30 g/mol
LogP1.60
Rot. Bonds3

About 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid

2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (PubChem CID 43327738) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.

Molecular Properties

Compound Name2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
PubChem CID43327738
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid
SMILESCc1nc(=O)n(C2CCCC2)c(C)c1CC(=O)O
InChIInChI=1S/C13H18N2O3/c1-8-11(7-12(16)17)9(2)15(13(18)14-8)10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,16,17)
InChIKeyFRYKUSKDTCKFPX-UHFFFAOYSA-N
XLogP1.60
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The IUPAC name of 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid (CID 43327738) is 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid.
What is the SMILES notation for 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The canonical SMILES for 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is Cc1nc(=O)n(C2CCCC2)c(C)c1CC(=O)O.
What is the InChIKey of 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
The InChIKey is FRYKUSKDTCKFPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-11(7-12(16)17)9(2)15(13(18)14-8)10-5-3-4-6-10/h10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid?
2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid has a molecular weight of 250.30 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopentyl-4,6-dimethyl-2-oxopyrimidin-5-yl)acetic acid is sourced from PubChem (CID 43327738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).