4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine

C20H18N2 — CID 100928406

IUPAC4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine
SMILESC=c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)c1=C
InChIInChI=1S/C20H18N2/c1-13-5-9-17(10-6-13)19-15(3)16(4)21-20(22-19)18-11-7-14(2)8-12-18/h5-12H,3-4H2,1-2H3
InChIKeyLNZGXNJIDXCGLR-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.25
Rot. Bonds2

About 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine

4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine (PubChem CID 100928406) has the molecular formula C20H18N2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine
PubChem CID100928406
Molecular FormulaC20H18N2
Molecular Weight286.38 g/mol
Exact Mass286.15
IUPAC Name4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine
SMILESC=c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)c1=C
InChIInChI=1S/C20H18N2/c1-13-5-9-17(10-6-13)19-15(3)16(4)21-20(22-19)18-11-7-14(2)8-12-18/h5-12H,3-4H2,1-2H3
InChIKeyLNZGXNJIDXCGLR-UHFFFAOYSA-N
XLogP3.25
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,5-dimethylidene-2,6-bis(4-methylphenyl)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-[4,6-bis(4-methylphenyl)-1,3,5-triazin-2-yl]-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 59002233
2,4-bis(4-bromophenyl)-5,6-bis(4-methylphenyl)pyrimidine
CID 102228159
4-methyl-2,6-bis(4-methylphenyl)-5-propylpyrimidine
CID 12063031
5-methyl-2,4-bis(4-methylphenyl)-6-pentylpyrimidine
CID 12063039
4,6-dichloro-5-fluoro-2-(4-methylphenyl)pyrimidine
CID 80550164
2-(3-methylphenyl)-4,6-bis(4-methylphenyl)-1,3,5-triazine
CID 171058363
2,4-bis(4-methylphenyl)-6-(2,4,6-trimethylphenyl)-1,3,5-triazine
CID 58250693
4-[3-(2,6-diphenyl-4-pyridinyl)-5-(2,6-diphenylpyrimidin-4-yl)phenyl]-6-(4-methylphenyl)-2-phenylpyrimidine
CID 135243270
4-(4-methylphenyl)-2-phenyl-[1]benzothiolo[3,2-d]pyrimidine
CID 121339088
1-methyl-4-(4-prop-1-en-2-ylphenyl)benzene
CID 20594776
2-(4-fluorophenyl)-5-methyl-6-phenylpyrimidin-4-amine
CID 104846735
2-(4-tert-butylphenyl)-4,6-bis(4-methylphenyl)pyrimidine
CID 58261754

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine?
The IUPAC name of 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine (CID 100928406) is 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine.
What is the SMILES notation for 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine?
The canonical SMILES for 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine is C=c1nc(-c2ccc(C)cc2)nc(-c2ccc(C)cc2)c1=C.
What is the InChIKey of 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine?
The InChIKey is LNZGXNJIDXCGLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2/c1-13-5-9-17(10-6-13)19-15(3)16(4)21-20(22-19)18-11-7-14(2)8-12-18/h5-12H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine?
4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine has a molecular weight of 286.38 g/mol, XLogP of 3.25, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-2,6-bis(4-methylphenyl)pyrimidine is sourced from PubChem (CID 100928406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).