2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid

C13H18N2O3 — CID 113432871

IUPAC2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCOC1(c2nc(C)c(C(=O)O)c(C)n2)CCCC1
InChIInChI=1S/C13H18N2O3/c1-8-10(11(16)17)9(2)15-12(14-8)13(18-3)6-4-5-7-13/h4-7H2,1-3H3,(H,16,17)
InChIKeyGKVZYFFKXCALLG-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.21
Rot. Bonds3

About 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid

2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid (PubChem CID 113432871) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
PubChem CID113432871
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Name2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid
SMILESCOC1(c2nc(C)c(C(=O)O)c(C)n2)CCCC1
InChIInChI=1S/C13H18N2O3/c1-8-10(11(16)17)9(2)15-12(14-8)13(18-3)6-4-5-7-13/h4-7H2,1-3H3,(H,16,17)
InChIKeyGKVZYFFKXCALLG-UHFFFAOYSA-N
XLogP2.21
TPSA72.31 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 ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]propanoic acid
CID 104611567
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
3-[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]-2-methylpropanoic acid
CID 104611568
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 104611900
5-bromo-2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-amine
CID 116776459
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
2-(1-methoxycycloheptyl)-N,5,6-trimethylpyrimidin-4-amine
CID 116776105
4-ethyl-2-(1-methoxycyclopentyl)pyrimidine-5-carboxylic acid
CID 104611627
N-[[2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidin-5-yl]methyl]propan-2-amine
CID 104611902
5-bromo-2-(1-methoxycyclohexyl)pyrimidine-4-carboxylic acid
CID 106512057
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid (CID 113432871) is 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid is COC1(c2nc(C)c(C(=O)O)c(C)n2)CCCC1.
What is the InChIKey of 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
The InChIKey is GKVZYFFKXCALLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-8-10(11(16)17)9(2)15-12(14-8)13(18-3)6-4-5-7-13/h4-7H2,1-3H3,(H,16,17).
What are the key properties of 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid?
2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid has a molecular weight of 250.30 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclopentyl)-4,6-dimethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 113432871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).