4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine

C12H11ClN2 — CID 4189212

IUPAC4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C12H11ClN2/c1-8-4-3-5-10(6-8)12-14-9(2)7-11(13)15-12/h3-7H,1-2H3
InChIKeyVRKDKRBNQBEDQV-UHFFFAOYSA-N
MW218.69 g/mol
LogP3.41
Rot. Bonds1

About 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine

4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine (PubChem CID 4189212) has the molecular formula C12H11ClN2 and a molecular weight of 218.69 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine
PubChem CID4189212
Molecular FormulaC12H11ClN2
Molecular Weight218.69 g/mol
Exact Mass218.06
IUPAC Name4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine
SMILESCc1cccc(-c2nc(C)cc(Cl)n2)c1
InChIInChI=1S/C12H11ClN2/c1-8-4-3-5-10(6-8)12-14-9(2)7-11(13)15-12/h3-7H,1-2H3
InChIKeyVRKDKRBNQBEDQV-UHFFFAOYSA-N
XLogP3.41
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.69
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine (CID 4189212) is 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine is Cc1cccc(-c2nc(C)cc(Cl)n2)c1.
What is the InChIKey of 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine?
The InChIKey is VRKDKRBNQBEDQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2/c1-8-4-3-5-10(6-8)12-14-9(2)7-11(13)15-12/h3-7H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine?
4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine has a molecular weight of 218.69 g/mol, XLogP of 3.41, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-(3-methylphenyl)pyrimidine is sourced from PubChem (CID 4189212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).