4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine

C16H25ClN2O — CID 116745802

IUPAC4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
SMILESCCOC1(c2nc(C)c(CC)c(Cl)n2)CCCCCC1
InChIInChI=1S/C16H25ClN2O/c1-4-13-12(3)18-15(19-14(13)17)16(20-5-2)10-8-6-7-9-11-16/h4-11H2,1-3H3
InChIKeyVIXWMIKJFFDAST-UHFFFAOYSA-N
MW296.84 g/mol
LogP4.59
Rot. Bonds4

About 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine

4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine (PubChem CID 116745802) has the molecular formula C16H25ClN2O and a molecular weight of 296.84 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
PubChem CID116745802
Molecular FormulaC16H25ClN2O
Molecular Weight296.84 g/mol
Exact Mass296.17
IUPAC Name4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
SMILESCCOC1(c2nc(C)c(CC)c(Cl)n2)CCCCCC1
InChIInChI=1S/C16H25ClN2O/c1-4-13-12(3)18-15(19-14(13)17)16(20-5-2)10-8-6-7-9-11-16/h4-11H2,1-3H3
InChIKeyVIXWMIKJFFDAST-UHFFFAOYSA-N
XLogP4.59
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.84
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-ethoxycyclohexyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775825
2-(1-ethoxycycloheptyl)-5-ethyl-N,6-dimethylpyrimidin-4-amine
CID 116775828
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-chloro-5-ethyl-6-methyl-2-(2-methyloxan-2-yl)pyrimidine
CID 80690391
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
2-(1-ethoxy-4,4-dimethylcyclohexyl)-5-ethyl-6-methylpyrimidin-4-amine
CID 116775589
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
4-chloro-2-(4-ethoxyoxan-4-yl)-5-fluoro-6-methylpyrimidine
CID 116746038
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
2-(1-ethoxycyclopentyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 116776412

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine (CID 116745802) is 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine is CCOC1(c2nc(C)c(CC)c(Cl)n2)CCCCCC1.
What is the InChIKey of 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine?
The InChIKey is VIXWMIKJFFDAST-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O/c1-4-13-12(3)18-15(19-14(13)17)16(20-5-2)10-8-6-7-9-11-16/h4-11H2,1-3H3.
What are the key properties of 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine?
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine has a molecular weight of 296.84 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 116745802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).