2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid

C16H24N2O3 — CID 116775102

IUPAC2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid
SMILESCCOC1(c2ncc(C(=O)O)c(CC)n2)CCCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-13-12(14(19)20)11-17-15(18-13)16(21-4-2)9-7-5-6-8-10-16/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeySAOQLWCVUGQQEV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.32
Rot. Bonds5

About 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid

2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid (PubChem CID 116775102) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid
PubChem CID116775102
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Name2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid
SMILESCCOC1(c2ncc(C(=O)O)c(CC)n2)CCCCCC1
InChIInChI=1S/C16H24N2O3/c1-3-13-12(14(19)20)11-17-15(18-13)16(21-4-2)9-7-5-6-8-10-16/h11H,3-10H2,1-2H3,(H,19,20)
InChIKeySAOQLWCVUGQQEV-UHFFFAOYSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-2-(1-methoxycyclopentyl)pyrimidine-5-carboxylic acid
CID 104611627
ethyl 4-amino-2-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888
4-ethyl-2-(1-phenylcyclobutyl)pyrimidine-5-carboxylic acid
CID 63080630
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
4-(difluoromethyl)-2-(1-methoxycyclobutyl)pyrimidine-5-carboxylic acid
CID 116728189
5-(bromomethyl)-2-(4-ethoxyoxan-4-yl)-4-ethylpyrimidine
CID 114205724
[2-(1-ethoxycyclopentyl)pyrimidin-4-yl]methanol
CID 116778981
2-[2-(1-ethoxycycloheptyl)pyrimidin-5-yl]ethanamine
CID 116779217
5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine
CID 114205349
N-[[2-(1-ethoxycycloheptyl)pyrimidin-4-yl]methyl]ethanamine
CID 116778500
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid (CID 116775102) is 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid is CCOC1(c2ncc(C(=O)O)c(CC)n2)CCCCCC1.
What is the InChIKey of 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid?
The InChIKey is SAOQLWCVUGQQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-3-13-12(14(19)20)11-17-15(18-13)16(21-4-2)9-7-5-6-8-10-16/h11H,3-10H2,1-2H3,(H,19,20).
What are the key properties of 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid?
2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid has a molecular weight of 292.38 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 116775102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).