2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane

C11H20F2N2 — CID 145136469

IUPAC2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane
SMILESCC.CC.Cc1cnc(C(C)(F)F)nc1
InChIInChI=1S/C7H8F2N2.2C2H6/c1-5-3-10-6(11-4-5)7(2,8)9;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyJWKXNYQSEABIDI-UHFFFAOYSA-N
MW218.29 g/mol
LogP3.95
Rot. Bonds1

About 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane

2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane (PubChem CID 145136469) has the molecular formula C11H20F2N2 and a molecular weight of 218.29 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane
PubChem CID145136469
Molecular FormulaC11H20F2N2
Molecular Weight218.29 g/mol
Exact Mass218.16
IUPAC Name2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane
SMILESCC.CC.Cc1cnc(C(C)(F)F)nc1
InChIInChI=1S/C7H8F2N2.2C2H6/c1-5-3-10-6(11-4-5)7(2,8)9;2*1-2/h3-4H,1-2H3;2*1-2H3
InChIKeyJWKXNYQSEABIDI-UHFFFAOYSA-N
XLogP3.95
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.29
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-5-methylpyrimidine
CID 160929079
2-(1,1-difluoroethyl)-5-methylpyridine;2-(1,1-difluoroethyl)-5-methylpyrimidine;2,5-dimethylpyridine;ethane;2-(1-fluoroethyl)-5-methylpyrimidine;toluene
CID 167673008
2-(1,1-difluoroethyl)-5-ethenylpyrimidine;2-(1,1-difluoroethyl)pyrimidine-5-carbaldehyde
CID 161462800
ethane;5-methyl-2-(trifluoromethyl)pyridine
CID 143930819
2-(difluoromethyl)-5-methylpyrimidine;ethane
CID 170582864
4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
CID 168939240
5-(1,1-difluoroethyl)-2-methylpyridine;ethane
CID 145136619
5-methyl-2-[(2-methylpropan-2-yl)oxy]pyrimidine
CID 146435521
ethane;5-methyl-2-methylsulfonylpyrimidine
CID 176693860
5-bromo-2-(2-fluoropropan-2-yl)pyrimidine
CID 118138846
ethyl 2-methyl-2-(5-methylpyrimidin-2-yl)propanoate
CID 143018916
2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrimidin-5-amine
CID 138111960

Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane?
The IUPAC name of 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane (CID 145136469) is 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane.
What is the SMILES notation for 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane?
The canonical SMILES for 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane is CC.CC.Cc1cnc(C(C)(F)F)nc1.
What is the InChIKey of 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane?
The InChIKey is JWKXNYQSEABIDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2.2C2H6/c1-5-3-10-6(11-4-5)7(2,8)9;2*1-2/h3-4H,1-2H3;2*1-2H3.
What are the key properties of 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane?
2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane has a molecular weight of 218.29 g/mol, XLogP of 3.95, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane is sourced from PubChem (CID 145136469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).