2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine

C12H14N2 — CID 146587176

IUPAC2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine
SMILESCC1=CC=C(c2ncccn2)C(C)C1
InChIInChI=1S/C12H14N2/c1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12/h3-7,10H,8H2,1-2H3
InChIKeyGPBBEMYEASQQNX-UHFFFAOYSA-N
MW186.26 g/mol
LogP2.85
Rot. Bonds1

About 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine

2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine (PubChem CID 146587176) has the molecular formula C12H14N2 and a molecular weight of 186.26 g/mol. Its IUPAC name is 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine.

Molecular Properties

Compound Name2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine
PubChem CID146587176
Molecular FormulaC12H14N2
Molecular Weight186.26 g/mol
Exact Mass186.12
IUPAC Name2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine
SMILESCC1=CC=C(c2ncccn2)C(C)C1
InChIInChI=1S/C12H14N2/c1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12/h3-7,10H,8H2,1-2H3
InChIKeyGPBBEMYEASQQNX-UHFFFAOYSA-N
XLogP2.85
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)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

2-(2-Fluorocyclopenten-1-yl)pyrimidine
CID 90925348
Fluorocyclopentenyl-pyrimidine
CID 171396588
2-[(E)-oct-1-enyl]pyrimidine
CID 11446827
2-Butylpyrimidine
CID 12343989
Pyrimidinylcyclohexane
CID 17937609
Cyclobutyl pyrimidine
CID 18329571
Isobutylpyrimidine
CID 20081650
Cyclopentyl pyrimidine
CID 53995640
(3aR*,7aS*)-2-(5-ethyl-2-methyl-4-pyrimidinyl)-2,3,3a,4,7,7a-hexahydro-1H-isoindole
CID 56882851
2-[(E)-2-cyclohexylvinyl]-5-fluoro-N,N-dimethylpyrimidin-4-amine
CID 74248962
5-Methyl-2-[4-(2,3,3,3-tetrafluoroprop-1-enyl)cyclohexyl]pyrimidine
CID 58665439
5-Fluoro-2-(4-methylidenecyclohexyl)pyrimidine
CID 91144297

Frequently Asked Questions

What is the IUPAC name of 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine?
The IUPAC name of 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine (CID 146587176) is 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine.
What is the SMILES notation for 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine?
The canonical SMILES for 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine is CC1=CC=C(c2ncccn2)C(C)C1.
What is the InChIKey of 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine?
The InChIKey is GPBBEMYEASQQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2/c1-9-4-5-11(10(2)8-9)12-13-6-3-7-14-12/h3-7,10H,8H2,1-2H3.
What are the key properties of 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine?
2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine has a molecular weight of 186.26 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,6-dimethylcyclohexa-1,3-dien-1-yl)pyrimidine is sourced from PubChem (CID 146587176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).