2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine

C24H23FN4 — CID 158621536

IUPAC2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2ncccn2)c(C)c1F.Cc1cccc(-c2ncccn2)c1C
InChIInChI=1S/C12H11FN2.C12H12N2/c1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-9-5-3-6-11(10(9)2)12-13-7-4-8-14-12/h3-7H,1-2H3;3-8H,1-2H3
InChIKeyHYBDTVHYIBWNKU-UHFFFAOYSA-N
MW386.47 g/mol
LogP5.66
Rot. Bonds2

About 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine

2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine (PubChem CID 158621536) has the molecular formula C24H23FN4 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine.

Molecular Properties

Compound Name2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine
PubChem CID158621536
Molecular FormulaC24H23FN4
Molecular Weight386.47 g/mol
Exact Mass386.19
IUPAC Name2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine
SMILESCc1ccc(-c2ncccn2)c(C)c1F.Cc1cccc(-c2ncccn2)c1C
InChIInChI=1S/C12H11FN2.C12H12N2/c1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-9-5-3-6-11(10(9)2)12-13-7-4-8-14-12/h3-7H,1-2H3;3-8H,1-2H3
InChIKeyHYBDTVHYIBWNKU-UHFFFAOYSA-N
XLogP5.66
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.47
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine?
The IUPAC name of 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine (CID 158621536) is 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine.
What is the SMILES notation for 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine?
The canonical SMILES for 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine is Cc1ccc(-c2ncccn2)c(C)c1F.Cc1cccc(-c2ncccn2)c1C.
What is the InChIKey of 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine?
The InChIKey is HYBDTVHYIBWNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2.C12H12N2/c1-8-4-5-10(9(2)11(8)13)12-14-6-3-7-15-12;1-9-5-3-6-11(10(9)2)12-13-7-4-8-14-12/h3-7H,1-2H3;3-8H,1-2H3.
What are the key properties of 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine?
2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine has a molecular weight of 386.47 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylphenyl)pyrimidine;2-(3-fluoro-2,4-dimethylphenyl)pyrimidine is sourced from PubChem (CID 158621536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).