4-methyl-2-[(2-methylphenyl)methyl]pyrimidine

C13H14N2 — CID 21028246

IUPAC4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
SMILESCc1ccnc(Cc2ccccc2C)n1
InChIInChI=1S/C13H14N2/c1-10-5-3-4-6-12(10)9-13-14-8-7-11(2)15-13/h3-8H,9H2,1-2H3
InChIKeySWLQAZWIBWLADN-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.68
Rot. Bonds2

About 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine

4-methyl-2-[(2-methylphenyl)methyl]pyrimidine (PubChem CID 21028246) has the molecular formula C13H14N2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine.

Molecular Properties

Compound Name4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
PubChem CID21028246
Molecular FormulaC13H14N2
Molecular Weight198.27 g/mol
Exact Mass198.12
IUPAC Name4-methyl-2-[(2-methylphenyl)methyl]pyrimidine
SMILESCc1ccnc(Cc2ccccc2C)n1
InChIInChI=1S/C13H14N2/c1-10-5-3-4-6-12(10)9-13-14-8-7-11(2)15-13/h3-8H,9H2,1-2H3
InChIKeySWLQAZWIBWLADN-UHFFFAOYSA-N
XLogP2.68
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine?
The IUPAC name of 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine (CID 21028246) is 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine.
What is the SMILES notation for 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine?
The canonical SMILES for 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine is Cc1ccnc(Cc2ccccc2C)n1.
What is the InChIKey of 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine?
The InChIKey is SWLQAZWIBWLADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2/c1-10-5-3-4-6-12(10)9-13-14-8-7-11(2)15-13/h3-8H,9H2,1-2H3.
What are the key properties of 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine?
4-methyl-2-[(2-methylphenyl)methyl]pyrimidine has a molecular weight of 198.27 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(2-methylphenyl)methyl]pyrimidine is sourced from PubChem (CID 21028246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).