4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine

C13H19ClN2O — CID 116779068

IUPAC4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
SMILESCOC1(c2nc(C)cc(CCl)n2)CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-10-8-11(9-14)16-12(15-10)13(17-2)6-4-3-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyIOWBFKYBIVNDJU-UHFFFAOYSA-N
MW254.76 g/mol
LogP3.33
Rot. Bonds3

About 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine

4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine (PubChem CID 116779068) has the molecular formula C13H19ClN2O and a molecular weight of 254.76 g/mol. Its IUPAC name is 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
PubChem CID116779068
Molecular FormulaC13H19ClN2O
Molecular Weight254.76 g/mol
Exact Mass254.12
IUPAC Name4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine
SMILESCOC1(c2nc(C)cc(CCl)n2)CCCCC1
InChIInChI=1S/C13H19ClN2O/c1-10-8-11(9-14)16-12(15-10)13(17-2)6-4-3-5-7-13/h8H,3-7,9H2,1-2H3
InChIKeyIOWBFKYBIVNDJU-UHFFFAOYSA-N
XLogP3.33
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 ≤ 53.33
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

[2-(1-methoxycyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 116778602
N-[[2-(1-methoxycyclopentyl)-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 104611857
2-(1-methoxycycloheptyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778381
4,6-dichloro-2-(1-methoxycycloheptyl)-5-methylpyrimidine
CID 116745969
4-chloro-2-(1-ethoxycyclohexyl)-6-methylpyrimidine
CID 116745682
4-chloro-2-(1-methoxycyclohexyl)-6-propan-2-ylpyrimidine
CID 116745751
4-(chloromethyl)-2-(1-methoxycycloheptyl)-1,3-thiazole
CID 116744317
1-[2-(1-methoxy-4-methylcyclohexyl)-6-methylpyrimidin-4-yl]propan-2-amine
CID 116779189
5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine
CID 114205349
5-bromo-4,6-dichloro-2-(1-methoxycyclohexyl)pyrimidine
CID 116746046
4-chloro-6-cyclopropyl-2-(1-methoxycyclopentyl)pyrimidine
CID 104609956
(1S)-1-[2-(1-methoxycycloheptyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431656

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine?
The IUPAC name of 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine (CID 116779068) is 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine.
What is the SMILES notation for 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine?
The canonical SMILES for 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine is COC1(c2nc(C)cc(CCl)n2)CCCCC1.
What is the InChIKey of 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine?
The InChIKey is IOWBFKYBIVNDJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClN2O/c1-10-8-11(9-14)16-12(15-10)13(17-2)6-4-3-5-7-13/h8H,3-7,9H2,1-2H3.
What are the key properties of 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine?
4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine has a molecular weight of 254.76 g/mol, XLogP of 3.33, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-2-(1-methoxycyclohexyl)-6-methylpyrimidine is sourced from PubChem (CID 116779068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).