2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine

C16H12F2N2 — CID 54113994

IUPAC2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
SMILESCc1cnc(-c2c(F)cc3cc(C)ccc3c2F)nc1
InChIInChI=1S/C16H12F2N2/c1-9-3-4-12-11(5-9)6-13(17)14(15(12)18)16-19-7-10(2)8-20-16/h3-8H,1-2H3
InChIKeyNJBFWUDMUFHSFZ-UHFFFAOYSA-N
MW270.28 g/mol
LogP4.19
Rot. Bonds1

About 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine

2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine (PubChem CID 54113994) has the molecular formula C16H12F2N2 and a molecular weight of 270.28 g/mol. Its IUPAC name is 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
PubChem CID54113994
Molecular FormulaC16H12F2N2
Molecular Weight270.28 g/mol
Exact Mass270.10
IUPAC Name2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine
SMILESCc1cnc(-c2c(F)cc3cc(C)ccc3c2F)nc1
InChIInChI=1S/C16H12F2N2/c1-9-3-4-12-11(5-9)6-13(17)14(15(12)18)16-19-7-10(2)8-20-16/h3-8H,1-2H3
InChIKeyNJBFWUDMUFHSFZ-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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Frequently Asked Questions

What is the IUPAC name of 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
The IUPAC name of 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine (CID 54113994) is 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
The canonical SMILES for 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine is Cc1cnc(-c2c(F)cc3cc(C)ccc3c2F)nc1.
What is the InChIKey of 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
The InChIKey is NJBFWUDMUFHSFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2/c1-9-3-4-12-11(5-9)6-13(17)14(15(12)18)16-19-7-10(2)8-20-16/h3-8H,1-2H3.
What are the key properties of 2-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine?
2-(1,3-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-(1,3-difluoro-6-methylnaphthalen-2-yl)-5-methylpyrimidine is sourced from PubChem (CID 54113994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).