5-(difluoromethyl)-4-methylpyrimidine

C6H6F2N2 — CID 170225659

IUPAC5-(difluoromethyl)-4-methylpyrimidine
SMILESCc1ncncc1C(F)F
InChIInChI=1S/C6H6F2N2/c1-4-5(6(7)8)2-9-3-10-4/h2-3,6H,1H3
InChIKeyZPKKKDGORLQSIQ-UHFFFAOYSA-N
MW144.12 g/mol
LogP1.72
Rot. Bonds1

About 5-(difluoromethyl)-4-methylpyrimidine

5-(difluoromethyl)-4-methylpyrimidine (PubChem CID 170225659) has the molecular formula C6H6F2N2 and a molecular weight of 144.12 g/mol. Its IUPAC name is 5-(difluoromethyl)-4-methylpyrimidine.

Molecular Properties

Compound Name5-(difluoromethyl)-4-methylpyrimidine
PubChem CID170225659
Molecular FormulaC6H6F2N2
Molecular Weight144.12 g/mol
Exact Mass144.05
IUPAC Name5-(difluoromethyl)-4-methylpyrimidine
SMILESCc1ncncc1C(F)F
InChIInChI=1S/C6H6F2N2/c1-4-5(6(7)8)2-9-3-10-4/h2-3,6H,1H3
InChIKeyZPKKKDGORLQSIQ-UHFFFAOYSA-N
XLogP1.72
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.12
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1R)-1-chloroethyl]-4-methylpyrimidine
CID 94587761
5-butan-2-yl-4-methylpyrimidine
CID 138494924
(2R)-2-amino-2-(4-methylpyrimidin-5-yl)ethanol
CID 96635522
4,5-dimethylpyrimidine;hydrochloride
CID 126810746
2-cyclobutyl-1-(4-methylpyrimidin-5-yl)ethanol
CID 131000904
5-(difluoromethyl)-3-fluoro-2,4-dimethylpyridine
CID 130101103
[5-(difluoromethyl)-6-methyl-3-pyridinyl]methanamine
CID 130097556
[5-(difluoromethyl)-6-methyl-3-pyridinyl]methanol
CID 130097700
3-bromo-5-(difluoromethyl)-2-methylpyridine-4-carbonitrile
CID 130108704
8-(difluoromethyl)-6-fluoro-4-methylquinazoline;ethane
CID 177201817
5-methyl-4-(1,2,2,2-tetrafluoroethyl)pyrimidine
CID 23236379
4-methyl-5-[4-(3-methyl-5-propan-2-ylpyrazol-1-yl)butan-2-yl]pyrimidine
CID 138722364

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-4-methylpyrimidine?
The IUPAC name of 5-(difluoromethyl)-4-methylpyrimidine (CID 170225659) is 5-(difluoromethyl)-4-methylpyrimidine.
What is the SMILES notation for 5-(difluoromethyl)-4-methylpyrimidine?
The canonical SMILES for 5-(difluoromethyl)-4-methylpyrimidine is Cc1ncncc1C(F)F.
What is the InChIKey of 5-(difluoromethyl)-4-methylpyrimidine?
The InChIKey is ZPKKKDGORLQSIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F2N2/c1-4-5(6(7)8)2-9-3-10-4/h2-3,6H,1H3.
What are the key properties of 5-(difluoromethyl)-4-methylpyrimidine?
5-(difluoromethyl)-4-methylpyrimidine has a molecular weight of 144.12 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-4-methylpyrimidine is sourced from PubChem (CID 170225659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).