2-(4-methylphenyl)pyrimidine

C11H10N2 — CID 12703698

IUPAC2-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H10N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2-8H,1H3
InChIKeyYQHSRAQHJSBAEO-UHFFFAOYSA-N
MW170.21 g/mol
LogP2.45
Rot. Bonds1

About 2-(4-methylphenyl)pyrimidine

2-(4-methylphenyl)pyrimidine (PubChem CID 12703698) has the molecular formula C11H10N2 and a molecular weight of 170.21 g/mol. Its IUPAC name is 2-(4-methylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(4-methylphenyl)pyrimidine
PubChem CID12703698
Molecular FormulaC11H10N2
Molecular Weight170.21 g/mol
Exact Mass170.08
IUPAC Name2-(4-methylphenyl)pyrimidine
SMILESCc1ccc(-c2ncccn2)cc1
InChIInChI=1S/C11H10N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2-8H,1H3
InChIKeyYQHSRAQHJSBAEO-UHFFFAOYSA-N
XLogP2.45
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Tripelennamine
CID 5587
Tripelennamine Hydrochloride
CID 9066
2-(Benzylamino)pyridine
CID 23362
Msx-122
CID 11687907
4-Phenylpyrimidine
CID 18923
4-[(E)-2-phenylethenyl]pyrimidin-2-amine
CID 46911068
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
2-Pyridinamine, 4-methyl-N-(phenylmethyl)-
CID 83053
5-(Phenylethynyl)pyrimidine
CID 4074142
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
4-(4-Phenylphenyl)pyrimidine
CID 817541

Frequently Asked Questions

What is the IUPAC name of 2-(4-methylphenyl)pyrimidine?
The IUPAC name of 2-(4-methylphenyl)pyrimidine (CID 12703698) is 2-(4-methylphenyl)pyrimidine.
What is the SMILES notation for 2-(4-methylphenyl)pyrimidine?
The canonical SMILES for 2-(4-methylphenyl)pyrimidine is Cc1ccc(-c2ncccn2)cc1.
What is the InChIKey of 2-(4-methylphenyl)pyrimidine?
The InChIKey is YQHSRAQHJSBAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2/c1-9-3-5-10(6-4-9)11-12-7-2-8-13-11/h2-8H,1H3.
What are the key properties of 2-(4-methylphenyl)pyrimidine?
2-(4-methylphenyl)pyrimidine has a molecular weight of 170.21 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylphenyl)pyrimidine is sourced from PubChem (CID 12703698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).