4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane

C9H13F3N2 — CID 168939240

IUPAC4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
SMILESCC.Cc1cnc(C(F)(F)F)nc1C
InChIInChI=1S/C7H7F3N2.C2H6/c1-4-3-11-6(7(8,9)10)12-5(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyVLBWYVZUOZYFMS-UHFFFAOYSA-N
MW206.21 g/mol
LogP3.14
Rot. Bonds

About 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane

4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane (PubChem CID 168939240) has the molecular formula C9H13F3N2 and a molecular weight of 206.21 g/mol. Its IUPAC name is 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane.

Molecular Properties

Compound Name4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
PubChem CID168939240
Molecular FormulaC9H13F3N2
Molecular Weight206.21 g/mol
Exact Mass206.10
IUPAC Name4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane
SMILESCC.Cc1cnc(C(F)(F)F)nc1C
InChIInChI=1S/C7H7F3N2.C2H6/c1-4-3-11-6(7(8,9)10)12-5(4)2;1-2/h3H,1-2H3;1-2H3
InChIKeyVLBWYVZUOZYFMS-UHFFFAOYSA-N
XLogP3.14
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-methyl-2-(trifluoromethyl)pyrimidine-5-sulfonyl chloride
CID 169143995
4-(azetidin-1-yl)-5-methyl-2-(trifluoromethyl)pyrimidine
CID 169072227
2,4-bis(trifluoromethyl)-1,3,5-triazine
CID 91614506
2-[[4-methyl-2-(trifluoromethyl)pyrimidine-5-carbonyl]amino]acetic acid
CID 110836376
3-methyl-5-(trifluoromethyl)-2H-pyrazolo[4,3-d]pyrimidine
CID 166898336
2,4-ditert-butyl-5-methylpyrimidine;ethane
CID 154663505
2-(1,1-difluoroethyl)-5-methylpyrimidine;ethane
CID 145136469
5-bromo-2-(trifluoromethyl)pyrimidin-4-amine
CID 71721371
1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-amine
CID 121498902
N,N-dimethyl-5-(methylaminomethyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 83895962
(3R,4R)-4-amino-1-[[4-methyl-2-(trifluoromethyl)pyrimidin-5-yl]methyl]pyrrolidin-3-ol;hydrochloride
CID 154905409
2-methyl-5-propan-2-ylpyrimidine;5-propan-2-yl-2-(trifluoromethyl)pyrimidine
CID 159606910

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane?
The IUPAC name of 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane (CID 168939240) is 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane.
What is the SMILES notation for 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane?
The canonical SMILES for 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane is CC.Cc1cnc(C(F)(F)F)nc1C.
What is the InChIKey of 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane?
The InChIKey is VLBWYVZUOZYFMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F3N2.C2H6/c1-4-3-11-6(7(8,9)10)12-5(4)2;1-2/h3H,1-2H3;1-2H3.
What are the key properties of 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane?
4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane has a molecular weight of 206.21 g/mol, XLogP of 3.14, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-(trifluoromethyl)pyrimidine;ethane is sourced from PubChem (CID 168939240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).