3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid

C16H24N2O3 — CID 104611568

IUPAC3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOC1(c2nc(C)c(CC(C)C(=O)O)c(C)n2)CCCC1
InChIInChI=1S/C16H24N2O3/c1-10(14(19)20)9-13-11(2)17-15(18-12(13)3)16(21-4)7-5-6-8-16/h10H,5-9H2,1-4H3,(H,19,20)
InChIKeyNYNOEWBEZFGZEZ-UHFFFAOYSA-N
MW292.38 g/mol
LogP2.77
Rot. Bonds5

About 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid

3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid (PubChem CID 104611568) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
PubChem CID104611568
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
SMILESCOC1(c2nc(C)c(CC(C)C(=O)O)c(C)n2)CCCC1
InChIInChI=1S/C16H24N2O3/c1-10(14(19)20)9-13-11(2)17-15(18-12(13)3)16(21-4)7-5-6-8-16/h10H,5-9H2,1-4H3,(H,19,20)
InChIKeyNYNOEWBEZFGZEZ-UHFFFAOYSA-N
XLogP2.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 104611567
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
CID 113432871
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902
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
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
N-[[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116731787
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
3-[2-(3-methoxypropyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 65293615
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-1-amine
CID 104611901
3-[4,6-dimethyl-2-(1-methylsulfonylethyl)pyrimidin-5-yl]-2-methylpropanoic acid
CID 116633068
N-ethyl-2-[2-(1-methoxycyclobutyl)-4,6-dimethylpyrimidin-5-yl]ethanamine
CID 116731657

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
The IUPAC name of 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid (CID 104611568) is 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid.
What is the SMILES notation for 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
The canonical SMILES for 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid is COC1(c2nc(C)c(CC(C)C(=O)O)c(C)n2)CCCC1.
What is the InChIKey of 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
The InChIKey is NYNOEWBEZFGZEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-10(14(19)20)9-13-11(2)17-15(18-12(13)3)16(21-4)7-5-6-8-16/h10H,5-9H2,1-4H3,(H,19,20).
What are the key properties of 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid?
3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid has a molecular weight of 292.38 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid is sourced from PubChem (CID 104611568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).