2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine

C15H15ClN2 — CID 64981739

IUPAC2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2Cc3ccccc32)nc1Cl
InChIInChI=1S/C15H15ClN2/c1-3-11-9(2)17-15(18-14(11)16)13-8-10-6-4-5-7-12(10)13/h4-7,13H,3,8H2,1-2H3
InChIKeyUVENOSDCCHMEBZ-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.69
Rot. Bonds2

About 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine

2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine (PubChem CID 64981739) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine.

Molecular Properties

Compound Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine
PubChem CID64981739
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine
SMILESCCc1c(C)nc(C2Cc3ccccc32)nc1Cl
InChIInChI=1S/C15H15ClN2/c1-3-11-9(2)17-15(18-14(11)16)13-8-10-6-4-5-7-12(10)13/h4-7,13H,3,8H2,1-2H3
InChIKeyUVENOSDCCHMEBZ-UHFFFAOYSA-N
XLogP3.69
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-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

4,6-dichloro-5-ethyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 63611983
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5,6-dimethylthieno[2,3-d]pyrimidine
CID 64982062
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-5-bromo-4-chloro-6-(methoxymethyl)pyrimidine
CID 66292821
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-6-propylpyrimidine
CID 64982448
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742521
4-chloro-2-cyclobutyl-5-ethyl-6-methylpyrimidine
CID 64981738
4-chloro-2-cyclooctyl-5-ethyl-6-methylpyrimidine
CID 80602537
4,6-dichloro-5-methyl-2-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrimidine
CID 55217602
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-propyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 114742711
4-chloro-5-ethyl-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386840
N-[[2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-6-methylpyrimidin-4-yl]methyl]propan-1-amine
CID 64986210
5-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-ethyl-1H-pyrazol-3-amine
CID 66396906

Frequently Asked Questions

What is the IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine?
The IUPAC name of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine (CID 64981739) is 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine.
What is the SMILES notation for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine?
The canonical SMILES for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine is CCc1c(C)nc(C2Cc3ccccc32)nc1Cl.
What is the InChIKey of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine?
The InChIKey is UVENOSDCCHMEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2/c1-3-11-9(2)17-15(18-14(11)16)13-8-10-6-4-5-7-12(10)13/h4-7,13H,3,8H2,1-2H3.
What are the key properties of 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine?
2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine has a molecular weight of 258.75 g/mol, XLogP of 3.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-chloro-5-ethyl-6-methylpyrimidine is sourced from PubChem (CID 64981739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).