4,6-difluoro-5-methylpyrimidine

C5H4F2N2 — CID 45080449

IUPAC4,6-difluoro-5-methylpyrimidine
SMILESCc1c(F)ncnc1F
InChIInChI=1S/C5H4F2N2/c1-3-4(6)8-2-9-5(3)7/h2H,1H3
InChIKeyFJIZSGSZCDMMMY-UHFFFAOYSA-N
MW130.10 g/mol
LogP1.06
Rot. Bonds

About 4,6-difluoro-5-methylpyrimidine

4,6-difluoro-5-methylpyrimidine (PubChem CID 45080449) has the molecular formula C5H4F2N2 and a molecular weight of 130.10 g/mol. Its IUPAC name is 4,6-difluoro-5-methylpyrimidine.

Molecular Properties

Compound Name4,6-difluoro-5-methylpyrimidine
PubChem CID45080449
Molecular FormulaC5H4F2N2
Molecular Weight130.10 g/mol
Exact Mass130.03
IUPAC Name4,6-difluoro-5-methylpyrimidine
SMILESCc1c(F)ncnc1F
InChIInChI=1S/C5H4F2N2/c1-3-4(6)8-2-9-5(3)7/h2H,1H3
InChIKeyFJIZSGSZCDMMMY-UHFFFAOYSA-N
XLogP1.06
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500130.10
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylpyrimidine
CID 74859
5-(Trifluoromethyl)pyrimidine
CID 15273573
4,6-Difluoropyrimidine
CID 137717
4,6-Dichloro-5-methylpyrimidine
CID 818860
2,4-Difluoro-5-methylpyrimidine
CID 336950
4,5,6-Trifluoropyrimidine
CID 3572764
2,4,5-Trifluoropyrimidine
CID 12797307
2-Fluoro-5-methylpyrimidine
CID 23268885
2,4-Difluoro-5-(trifluoromethyl)pyrimidine
CID 11116707
5-(Trifluoromethyl)pyrimidin-2-amine
CID 15273574
4,5-Difluoropyrimidine
CID 18787571
2,4-Difluoropyrimidine-5-carbonitrile
CID 18981194

Frequently Asked Questions

What is the IUPAC name of 4,6-difluoro-5-methylpyrimidine?
The IUPAC name of 4,6-difluoro-5-methylpyrimidine (CID 45080449) is 4,6-difluoro-5-methylpyrimidine.
What is the SMILES notation for 4,6-difluoro-5-methylpyrimidine?
The canonical SMILES for 4,6-difluoro-5-methylpyrimidine is Cc1c(F)ncnc1F.
What is the InChIKey of 4,6-difluoro-5-methylpyrimidine?
The InChIKey is FJIZSGSZCDMMMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2/c1-3-4(6)8-2-9-5(3)7/h2H,1H3.
What are the key properties of 4,6-difluoro-5-methylpyrimidine?
4,6-difluoro-5-methylpyrimidine has a molecular weight of 130.10 g/mol, XLogP of 1.06, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-difluoro-5-methylpyrimidine is sourced from PubChem (CID 45080449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).