3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid

C15H22N2O3 — CID 64686418

IUPAC3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2(C)CCCC2)c(C)c1CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-10-12(6-7-13(18)19)11(2)17(14(20)16-10)15(3)8-4-5-9-15/h4-9H2,1-3H3,(H,18,19)
InChIKeyCSWRZZJQOYPERL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.17
Rot. Bonds4

About 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid

3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid (PubChem CID 64686418) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid
PubChem CID64686418
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid
SMILESCc1nc(=O)n(C2(C)CCCC2)c(C)c1CCC(=O)O
InChIInChI=1S/C15H22N2O3/c1-10-12(6-7-13(18)19)11(2)17(14(20)16-10)15(3)8-4-5-9-15/h4-9H2,1-3H3,(H,18,19)
InChIKeyCSWRZZJQOYPERL-UHFFFAOYSA-N
XLogP2.17
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid?
The IUPAC name of 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid (CID 64686418) is 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid?
The canonical SMILES for 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid is Cc1nc(=O)n(C2(C)CCCC2)c(C)c1CCC(=O)O.
What is the InChIKey of 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid?
The InChIKey is CSWRZZJQOYPERL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-10-12(6-7-13(18)19)11(2)17(14(20)16-10)15(3)8-4-5-9-15/h4-9H2,1-3H3,(H,18,19).
What are the key properties of 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid?
3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-1-(1-methylcyclopentyl)-2-oxopyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 64686418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).