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

C15H22N2O2 — CID 65413392

IUPAC2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(C2CCC(C)C2)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-8-5-6-12(7-8)14-16-10(3)13(11(4)17-14)9(2)15(18)19/h8-9,12H,5-7H2,1-4H3,(H,18,19)
InChIKeyGLSUPVMZUXJQDK-UHFFFAOYSA-N
MW262.35 g/mol
LogP3.19
Rot. Bonds3

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

2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid (PubChem CID 65413392) has the molecular formula C15H22N2O2 and a molecular weight of 262.35 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid
PubChem CID65413392
Molecular FormulaC15H22N2O2
Molecular Weight262.35 g/mol
Exact Mass262.17
IUPAC Name2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid
SMILESCc1nc(C2CCC(C)C2)nc(C)c1C(C)C(=O)O
InChIInChI=1S/C15H22N2O2/c1-8-5-6-12(7-8)14-16-10(3)13(11(4)17-14)9(2)15(18)19/h8-9,12H,5-7H2,1-4H3,(H,18,19)
InChIKeyGLSUPVMZUXJQDK-UHFFFAOYSA-N
XLogP3.19
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.35
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid (CID 65413392) is 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid is Cc1nc(C2CCC(C)C2)nc(C)c1C(C)C(=O)O.
What is the InChIKey of 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid?
The InChIKey is GLSUPVMZUXJQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O2/c1-8-5-6-12(7-8)14-16-10(3)13(11(4)17-14)9(2)15(18)19/h8-9,12H,5-7H2,1-4H3,(H,18,19).
What are the key properties of 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid?
2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid has a molecular weight of 262.35 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-(3-methylcyclopentyl)pyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 65413392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).