4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine

C13H19ClN2O — CID 116745682

IUPAC4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
SMILESCCOC1(c2nc(C)cc(Cl)n2)CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-3-17-13(7-5-4-6-8-13)12-15-10(2)9-11(14)16-12/h9H,3-8H2,1-2H3
InChIKeyZPJAMVAUAHWLDP-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.63
Rot. Bonds3

About 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine

4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine (PubChem CID 116745682) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
PubChem CID116745682
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
SMILESCCOC1(c2nc(C)cc(Cl)n2)CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-3-17-13(7-5-4-6-8-13)12-15-10(2)9-11(14)16-12/h9H,3-8H2,1-2H3
InChIKeyZPJAMVAUAHWLDP-UHFFFAOYSA-N
XLogP3.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.76
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-2-(1-ethoxy-4-methylcyclohexyl)-6-methylpyrimidine
CID 116745680
4-tert-butyl-6-chloro-2-(1-ethoxycycloheptyl)pyrimidine
CID 116745718
4-chloro-2-(1-ethoxycyclohexyl)-6-propylpyrimidine
CID 116745703
4-chloro-2-(1-ethoxycyclopentyl)-6-(2-methylpropyl)pyrimidine
CID 116746376
4-chloro-2-(1-ethoxycycloheptyl)-5-ethyl-6-methylpyrimidine
CID 116745802
5-(chloromethyl)-3-(1-ethoxycycloheptyl)-1H-1,2,4-triazole
CID 116782491
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068
4,6-dichloro-2-(1-ethoxycyclopentyl)-5-propan-2-ylpyrimidine
CID 116746016
4-chloro-2-(1-fluorocyclopropyl)-6-methylpyrimidine
CID 170730428
2-[2-(1-ethoxycyclohexyl)-4,6-dimethylpyrimidin-5-yl]propan-1-amine
CID 116779321
4-chloro-2-(1-ethoxycyclohexyl)-5-iodopyrimidine
CID 116746306
4-chloro-2-(1-ethoxy-3-methylcyclohexyl)-6-propan-2-ylpyrimidine
CID 116745747

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine (CID 116745682) is 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine is CCOC1(c2nc(C)cc(Cl)n2)CCCCC1.
What is the InChIKey of 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine?
The InChIKey is ZPJAMVAUAHWLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-3-17-13(7-5-4-6-8-13)12-15-10(2)9-11(14)16-12/h9H,3-8H2,1-2H3.
What are the key properties of 4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine?
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.63, 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-ethoxycyclohexyl)-6-methylpyrimidine is sourced from PubChem (CID 116745682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).