4-methyl-5-(3-methylphenyl)pyrimidine

C12H12N2 — CID 178100912

IUPAC4-methyl-5-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2cncnc2C)c1
InChIInChI=1S/C12H12N2/c1-9-4-3-5-11(6-9)12-7-13-8-14-10(12)2/h3-8H,1-2H3
InChIKeyXGRMFKWOOOYYBV-UHFFFAOYSA-N
MW184.24 g/mol
LogP2.76
Rot. Bonds1

About 4-methyl-5-(3-methylphenyl)pyrimidine

4-methyl-5-(3-methylphenyl)pyrimidine (PubChem CID 178100912) has the molecular formula C12H12N2 and a molecular weight of 184.24 g/mol. Its IUPAC name is 4-methyl-5-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-methyl-5-(3-methylphenyl)pyrimidine
PubChem CID178100912
Molecular FormulaC12H12N2
Molecular Weight184.24 g/mol
Exact Mass184.10
IUPAC Name4-methyl-5-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2cncnc2C)c1
InChIInChI=1S/C12H12N2/c1-9-4-3-5-11(6-9)12-7-13-8-14-10(12)2/h3-8H,1-2H3
InChIKeyXGRMFKWOOOYYBV-UHFFFAOYSA-N
XLogP2.76
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.24
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-bromo-5-(3-methylphenyl)pyrimidine
CID 105370964
ethane;3-(4-methylpyrimidin-5-yl)benzenesulfonamide
CID 144505728
ethane;4-(3-methylphenyl)pyrimidine
CID 144572009
ethane;4-(3-methylphenyl)pyrimidine
CID 178100798
4,6-dimethyl-2-pyridin-4-ylpyrimidine;ethane;4-methyl-5-phenylpyrimidine
CID 170732041
[3-(3-methylphenyl)-4-pyridinyl]methanol
CID 130118995
4-methyl-5-(3-methylphenyl)pyridin-2-amine
CID 79730061
5-(9,10-dinaphthalen-2-ylanthracen-2-yl)-4-methylpyrimidine
CID 90361613
2-fluoro-4-methyl-1-(3-methylphenyl)benzene
CID 142157742
4-(4-methylpyrimidin-5-yl)benzoic acid
CID 105467481
4-(4-methylpyrimidin-5-yl)thiophen-2-amine
CID 82403333
2-methyl-5-(3-methylphenyl)pyrimidin-4-amine
CID 62899429

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-(3-methylphenyl)pyrimidine?
The IUPAC name of 4-methyl-5-(3-methylphenyl)pyrimidine (CID 178100912) is 4-methyl-5-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4-methyl-5-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4-methyl-5-(3-methylphenyl)pyrimidine is Cc1cccc(-c2cncnc2C)c1.
What is the InChIKey of 4-methyl-5-(3-methylphenyl)pyrimidine?
The InChIKey is XGRMFKWOOOYYBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2/c1-9-4-3-5-11(6-9)12-7-13-8-14-10(12)2/h3-8H,1-2H3.
What are the key properties of 4-methyl-5-(3-methylphenyl)pyrimidine?
4-methyl-5-(3-methylphenyl)pyrimidine has a molecular weight of 184.24 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 178100912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).