2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

C15H22N2O3 — CID 104611567

IUPAC2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCOC1(c2nc(C)c(C(C)C(=O)O)c(C)n2)CCCC1
InChIInChI=1S/C15H22N2O3/c1-9(13(18)19)12-10(2)16-14(17-11(12)3)15(20-4)7-5-6-8-15/h9H,5-8H2,1-4H3,(H,18,19)
InChIKeyJUFNZNUIJGLADL-UHFFFAOYSA-N
MW278.35 g/mol
LogP2.70
Rot. Bonds4

About 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid

2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (PubChem CID 104611567) has the molecular formula C15H22N2O3 and a molecular weight of 278.35 g/mol. Its IUPAC name is 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.

Molecular Properties

Compound Name2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
PubChem CID104611567
Molecular FormulaC15H22N2O3
Molecular Weight278.35 g/mol
Exact Mass278.16
IUPAC Name2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
SMILESCOC1(c2nc(C)c(C(C)C(=O)O)c(C)n2)CCCC1
InChIInChI=1S/C15H22N2O3/c1-9(13(18)19)12-10(2)16-14(17-11(12)3)15(20-4)7-5-6-8-15/h9H,5-8H2,1-4H3,(H,18,19)
InChIKeyJUFNZNUIJGLADL-UHFFFAOYSA-N
XLogP2.70
TPSA72.31 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 ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 104611568
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
N-[2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]ethyl]propan-2-amine
CID 104611897
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
2-[2-(azepan-1-yl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62096386
2-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 62095858
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The IUPAC name of 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid (CID 104611567) is 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid.
What is the SMILES notation for 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The canonical SMILES for 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is COC1(c2nc(C)c(C(C)C(=O)O)c(C)n2)CCCC1.
What is the InChIKey of 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
The InChIKey is JUFNZNUIJGLADL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3/c1-9(13(18)19)12-10(2)16-14(17-11(12)3)15(20-4)7-5-6-8-15/h9H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid?
2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid has a molecular weight of 278.35 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid is sourced from PubChem (CID 104611567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).