4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine

C15H23ClN2 — CID 80602537

IUPAC4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2CCCCCCC2)nc1Cl
InChIInChI=1S/C15H23ClN2/c1-3-13-11(2)17-15(18-14(13)16)12-9-7-5-4-6-8-10-12/h12H,3-10H2,1-2H3
InChIKeyRUCMXAPLTNWZJX-UHFFFAOYSA-N
MW266.82 g/mol
LogP4.83
Rot. Bonds2

About 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine

4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine (PubChem CID 80602537) has the molecular formula C15H23ClN2 and a molecular weight of 266.82 g/mol. Its IUPAC name is 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine
PubChem CID80602537
Molecular FormulaC15H23ClN2
Molecular Weight266.82 g/mol
Exact Mass266.15
IUPAC Name4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2CCCCCCC2)nc1Cl
InChIInChI=1S/C15H23ClN2/c1-3-13-11(2)17-15(18-14(13)16)12-9-7-5-4-6-8-10-12/h12H,3-10H2,1-2H3
InChIKeyRUCMXAPLTNWZJX-UHFFFAOYSA-N
XLogP4.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.82
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine 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

4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
CID 64981738
4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386840
4,6-dichloro-2-cyclooctyl-5-propylpyrimidine
CID 80602250
N-[(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)methyl]ethanamine
CID 62745997
(2-cyclopentyl-4,6-dimethylpyrimidin-5-yl)methanamine
CID 62744554
2-(2-cyclohexyl-4,6-dimethylpyrimidin-5-yl)ethanol
CID 115069783
4,6-dichloro-5-ethyl-2-(4-methylcyclohexyl)pyrimidine
CID 63612318
4,6-dichloro-2-cycloheptyl-5-cyclopentylpyrimidine
CID 115926469
4,6-dichloro-2-cyclohexyl-5-fluoropyrimidine
CID 80550143
5-bromo-4,6-dichloro-2-cyclohexylpyrimidine
CID 66317033
5-bromo-4,6-dichloro-2-cyclooctylpyrimidine
CID 80602161
N-benzyl-6-chloro-2-cyclohexyl-5-ethylpyrimidin-4-amine
CID 87726327

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine?
The IUPAC name of 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine (CID 80602537) is 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(C2CCCCCCC2)nc1Cl.
What is the InChIKey of 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine?
The InChIKey is RUCMXAPLTNWZJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2/c1-3-13-11(2)17-15(18-14(13)16)12-9-7-5-4-6-8-10-12/h12H,3-10H2,1-2H3.
What are the key properties of 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine?
4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine has a molecular weight of 266.82 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 80602537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).