4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine

C15H23ClN2 — CID 65400374

IUPAC4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine
SMILESCc1cc(CCl)nc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H23ClN2/c1-10(2)12-4-6-13(7-5-12)15-17-11(3)8-14(9-16)18-15/h8,10,12-13H,4-7,9H2,1-3H3
InChIKeyLVYIMPNULKNLQF-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.45
Rot. Bonds3

About 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine

4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine (PubChem CID 65400374) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine.

Molecular Properties

Compound Name4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine
PubChem CID65400374
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine
SMILESCc1cc(CCl)nc(C2CCC(C(C)C)CC2)n1
InChIInChI=1S/C15H23ClN2/c1-10(2)12-4-6-13(7-5-12)15-17-11(3)8-14(9-16)18-15/h8,10,12-13H,4-7,9H2,1-3H3
InChIKeyLVYIMPNULKNLQF-UHFFFAOYSA-N
XLogP4.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65400572
6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidin-4-amine
CID 65400159
[2-(4-ethylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65390143
4-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclohexan-1-one
CID 116895673
[2-(4-tert-butylcyclohexyl)-6-methylpyrimidin-4-yl]methanamine
CID 65414644
N-[[6-methyl-2-(3-methylcyclopentyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 65415250
[6-methyl-2-(4-propylcyclohexyl)pyrimidin-4-yl]methanol
CID 65403208
2-cyclobutyl-4,6-dimethylpyrimidine
CID 122534003
4-bromo-2-cyclopropyl-6-methylpyrimidine
CID 112554798
4-chloro-6-methyl-2-(1-propan-2-ylpiperidin-4-yl)pyrimidine
CID 66509932
3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893625
N-[(2-cycloheptyl-6-methylpyrimidin-4-yl)methyl]cyclopropanamine
CID 65399678

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine?
The IUPAC name of 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine (CID 65400374) is 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine.
What is the SMILES notation for 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine?
The canonical SMILES for 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine is Cc1cc(CCl)nc(C2CCC(C(C)C)CC2)n1.
What is the InChIKey of 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine?
The InChIKey is LVYIMPNULKNLQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-10(2)12-4-6-13(7-5-12)15-17-11(3)8-14(9-16)18-15/h8,10,12-13H,4-7,9H2,1-3H3.
What are the key properties of 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine?
4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine has a molecular weight of 266.82 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-methyl-2-(4-propan-2-ylcyclohexyl)pyrimidine is sourced from PubChem (CID 65400374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).