5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine

C17H13F2N3 — CID 22899629

IUPAC5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccc(-c2ncc(-c3ccc(C)c(F)c3F)cn2)cn1
InChIInChI=1S/C17H13F2N3/c1-10-3-6-14(16(19)15(10)18)13-8-21-17(22-9-13)12-5-4-11(2)20-7-12/h3-9H,1-2H3
InChIKeyYKMDKBVLPAKIQH-UHFFFAOYSA-N
MW297.31 g/mol
LogP4.10
Rot. Bonds2

About 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine

5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine (PubChem CID 22899629) has the molecular formula C17H13F2N3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine
PubChem CID22899629
Molecular FormulaC17H13F2N3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine
SMILESCc1ccc(-c2ncc(-c3ccc(C)c(F)c3F)cn2)cn1
InChIInChI=1S/C17H13F2N3/c1-10-3-6-14(16(19)15(10)18)13-8-21-17(22-9-13)12-5-4-11(2)20-7-12/h3-9H,1-2H3
InChIKeyYKMDKBVLPAKIQH-UHFFFAOYSA-N
XLogP4.10
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine (CID 22899629) is 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine is Cc1ccc(-c2ncc(-c3ccc(C)c(F)c3F)cn2)cn1.
What is the InChIKey of 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
The InChIKey is YKMDKBVLPAKIQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F2N3/c1-10-3-6-14(16(19)15(10)18)13-8-21-17(22-9-13)12-5-4-11(2)20-7-12/h3-9H,1-2H3.
What are the key properties of 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine?
5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine has a molecular weight of 297.31 g/mol, XLogP of 4.10, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-difluoro-4-methylphenyl)-2-(6-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 22899629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).