5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine

C14H21ClN2O — CID 114205349

IUPAC5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine
SMILESCCc1nc(C2(OC)CCCCC2)ncc1CCl
InChIInChI=1S/C14H21ClN2O/c1-3-12-11(9-15)10-16-13(17-12)14(18-2)7-5-4-6-8-14/h10H,3-9H2,1-2H3
InChIKeyJPOIKSFMROQSSP-UHFFFAOYSA-N
MW268.79 g/mol
LogP3.58
Rot. Bonds4

About 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine

5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine (PubChem CID 114205349) has the molecular formula C14H21ClN2O and a molecular weight of 268.79 g/mol. Its IUPAC name is 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine
PubChem CID114205349
Molecular FormulaC14H21ClN2O
Molecular Weight268.79 g/mol
Exact Mass268.13
IUPAC Name5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine
SMILESCCc1nc(C2(OC)CCCCC2)ncc1CCl
InChIInChI=1S/C14H21ClN2O/c1-3-12-11(9-15)10-16-13(17-12)14(18-2)7-5-4-6-8-14/h10H,3-9H2,1-2H3
InChIKeyJPOIKSFMROQSSP-UHFFFAOYSA-N
XLogP3.58
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.79
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-ethyl-2-(1-methoxycyclopentyl)pyrimidine-5-carboxylic acid
CID 104611627
[2-(1-methoxycyclopentyl)-4-propylpyrimidin-5-yl]methanamine
CID 114206006
5-(bromomethyl)-2-(1-methoxycyclohexyl)-4-propan-2-ylpyrimidine
CID 114205748
6-ethyl-2-(1-methoxycyclohexyl)-5-methylpyrimidin-4-amine
CID 116776328
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
2-(1-ethoxycycloheptyl)-4-ethylpyrimidine-5-carboxylic acid
CID 116775102
5-bromo-2-(1-methoxycyclohexyl)pyrimidine-4-carboxylic acid
CID 106512057
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
CID 116779068
5-iodo-2-(1-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
5-iodo-2-(1-methoxycyclohexyl)-N-methylpyrimidin-4-amine
CID 116777102
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656
6-ethyl-2-(1-methoxycyclohexyl)-5-methyl-N-propylpyrimidin-4-amine
CID 116776378

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine?
The IUPAC name of 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine (CID 114205349) is 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine.
What is the SMILES notation for 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine?
The canonical SMILES for 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine is CCc1nc(C2(OC)CCCCC2)ncc1CCl.
What is the InChIKey of 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine?
The InChIKey is JPOIKSFMROQSSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O/c1-3-12-11(9-15)10-16-13(17-12)14(18-2)7-5-4-6-8-14/h10H,3-9H2,1-2H3.
What are the key properties of 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine?
5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine has a molecular weight of 268.79 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine is sourced from PubChem (CID 114205349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).