N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

C9H10F3N3O — CID 175988367

IUPACN,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C)nc1CC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-5-14-4-6(8(16)13-2)7(15-5)3-9(10,11)12/h4H,3H2,1-2H3,(H,13,16)
InChIKeyXDLGOUSSRHWQIS-UHFFFAOYSA-N
MW233.19 g/mol
LogP1.25
Rot. Bonds2

About N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide

N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (PubChem CID 175988367) has the molecular formula C9H10F3N3O and a molecular weight of 233.19 g/mol. Its IUPAC name is N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
PubChem CID175988367
Molecular FormulaC9H10F3N3O
Molecular Weight233.19 g/mol
Exact Mass233.08
IUPAC NameN,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide
SMILESCNC(=O)c1cnc(C)nc1CC(F)(F)F
InChIInChI=1S/C9H10F3N3O/c1-5-14-4-6(8(16)13-2)7(15-5)3-9(10,11)12/h4H,3H2,1-2H3,(H,13,16)
InChIKeyXDLGOUSSRHWQIS-UHFFFAOYSA-N
XLogP1.25
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.19
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The IUPAC name of N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide (CID 175988367) is N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide.
What is the SMILES notation for N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The canonical SMILES for N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is CNC(=O)c1cnc(C)nc1CC(F)(F)F.
What is the InChIKey of N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
The InChIKey is XDLGOUSSRHWQIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3O/c1-5-14-4-6(8(16)13-2)7(15-5)3-9(10,11)12/h4H,3H2,1-2H3,(H,13,16).
What are the key properties of N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide?
N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide has a molecular weight of 233.19 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-4-(2,2,2-trifluoroethyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 175988367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).