4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine

C14H21ClN2O — CID 116745680

IUPAC4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
SMILESCCOC1(c2nc(C)cc(Cl)n2)CCC(C)CC1
InChIInChI=1S/C14H21ClN2O/c1-4-18-14(7-5-10(2)6-8-14)13-16-11(3)9-12(15)17-13/h9-10H,4-8H2,1-3H3
InChIKeyUGWFQJMJLWHABS-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.88
Rot. Bonds3

About 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine

4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine (PubChem CID 116745680) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
PubChem CID116745680
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
SMILESCCOC1(c2nc(C)cc(Cl)n2)CCC(C)CC1
InChIInChI=1S/C14H21ClN2O/c1-4-18-14(7-5-10(2)6-8-14)13-16-11(3)9-12(15)17-13/h9-10H,4-8H2,1-3H3
InChIKeyUGWFQJMJLWHABS-UHFFFAOYSA-N
XLogP3.88
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
4,6-dichloro-2-(1-ethoxy-4-methylcyclohexyl)-5-propylpyrimidine
CID 116745994
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747
2-(1-ethoxy-4-methylcyclohexyl)-6-propylpyrimidin-4-amine
CID 116775599
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
4-chloro-6-cyclopropyl-2-(1-methoxy-4-methylcyclohexyl)pyrimidine
CID 116745903
5-bromo-4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)pyrimidine
CID 116746252
2-(1-ethoxy-4-methylcyclohexyl)-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116776165
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 106470638
2-(1-ethoxy-4-methylcyclohexyl)-6-methyl-5-propan-2-ylpyrimidin-4-amine
CID 116776204
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778389

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine (CID 116745680) is 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine is CCOC1(c2nc(C)cc(Cl)n2)CCC(C)CC1.
What is the InChIKey of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine?
The InChIKey is UGWFQJMJLWHABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-4-18-14(7-5-10(2)6-8-14)13-16-11(3)9-12(15)17-13/h9-10H,4-8H2,1-3H3.
What are the key properties of 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine?
4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine has a molecular weight of 268.79 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine is sourced from PubChem (CID 116745680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).