4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine

C17H14ClN3 — CID 14281147

IUPAC4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine
SMILESCc1cccc(-c2cccc(-c3nc(C)cc(Cl)n3)n2)c1
InChIInChI=1S/C17H14ClN3/c1-11-5-3-6-13(9-11)14-7-4-8-15(20-14)17-19-12(2)10-16(18)21-17/h3-10H,1-2H3
InChIKeyNEFIPZVLWJSURC-UHFFFAOYSA-N
MW295.77 g/mol
LogP4.48
Rot. Bonds2

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

4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine (PubChem CID 14281147) has the molecular formula C17H14ClN3 and a molecular weight of 295.77 g/mol. Its IUPAC name is 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine
PubChem CID14281147
Molecular FormulaC17H14ClN3
Molecular Weight295.77 g/mol
Exact Mass295.09
IUPAC Name4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine
SMILESCc1cccc(-c2cccc(-c3nc(C)cc(Cl)n3)n2)c1
InChIInChI=1S/C17H14ClN3/c1-11-5-3-6-13(9-11)14-7-4-8-15(20-14)17-19-12(2)10-16(18)21-17/h3-10H,1-2H3
InChIKeyNEFIPZVLWJSURC-UHFFFAOYSA-N
XLogP4.48
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.77
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine?
The IUPAC name of 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine (CID 14281147) is 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine.
What is the SMILES notation for 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine?
The canonical SMILES for 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine is Cc1cccc(-c2cccc(-c3nc(C)cc(Cl)n3)n2)c1.
What is the InChIKey of 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine?
The InChIKey is NEFIPZVLWJSURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3/c1-11-5-3-6-13(9-11)14-7-4-8-15(20-14)17-19-12(2)10-16(18)21-17/h3-10H,1-2H3.
What are the key properties of 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine?
4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine has a molecular weight of 295.77 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-methyl-2-[6-(3-methylphenyl)-2-pyridinyl]pyrimidine is sourced from PubChem (CID 14281147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).