2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine

C16H12F2N2 — CID 54504008

IUPAC2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
SMILESCc1cnc(-c2cc3ccc(C)cc3c(F)c2F)nc1
InChIInChI=1S/C16H12F2N2/c1-9-3-4-11-6-13(15(18)14(17)12(11)5-9)16-19-7-10(2)8-20-16/h3-8H,1-2H3
InChIKeyYEKUBQBQQLBJRW-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.19
Rot. Bonds1

About 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine

2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine (PubChem CID 54504008) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
PubChem CID54504008
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
SMILESCc1cnc(-c2cc3ccc(C)cc3c(F)c2F)nc1
InChIInChI=1S/C16H12F2N2/c1-9-3-4-11-6-13(15(18)14(17)12(11)5-9)16-19-7-10(2)8-20-16/h3-8H,1-2H3
InChIKeyYEKUBQBQQLBJRW-UHFFFAOYSA-N
XLogP4.19
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-[(3,4-difluoro-6-methylnaphthalen-2-yl)methyl]-1,2-difluoro-7-methylnaphthalene
CID 156721399
2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
CID 54113994
3-chloro-1-fluoro-2,7-dimethylnaphthalene
CID 146207185
1-fluoro-7-methylisoquinoline
CID 150517558
2,9-dimethylnaphtho[1,2-b]phenanthrene
CID 58426646
2-(4-methylphenyl)-5-(5-methylpyrimidin-2-yl)pyrimidine
CID 90064783
2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-methylpyrimidine
CID 71024195
2-(2-fluoro-4-propan-2-ylphenyl)-5-methylpyrimidine
CID 58946430
1-fluoro-2,7-dimethylphenanthrene
CID 21032854
azane;1-fluoro-7-methylnaphthalene
CID 174703926
2,6-difluoro-3-(5-methylpyrimidin-2-yl)benzonitrile
CID 141380152
3-fluoro-8-methylbenzo[f][1,7]naphthyridine
CID 141377178

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
The IUPAC name of 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine (CID 54504008) is 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
The canonical SMILES for 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine is Cc1cnc(-c2cc3ccc(C)cc3c(F)c2F)nc1.
What is the InChIKey of 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
The InChIKey is YEKUBQBQQLBJRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c1-9-3-4-11-6-13(15(18)14(17)12(11)5-9)16-19-7-10(2)8-20-16/h3-8H,1-2H3.
What are the key properties of 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine has a molecular weight of 270.28 g/mol, XLogP of 4.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine is sourced from PubChem (CID 54504008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).