5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

C11H15F3N4O — CID 62159608

IUPAC5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-6(2)9-16-4-7(15)8(17-9)10(19)18(3)5-11(12,13)14/h4,6H,5,15H2,1-3H3
InChIKeyILXBRRIOMMODGI-UHFFFAOYSA-N
MW276.26 g/mol
LogP1.82
Rot. Bonds3

About 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide

5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62159608) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62159608
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC Name5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(N)c(C(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C11H15F3N4O/c1-6(2)9-16-4-7(15)8(17-9)10(19)18(3)5-11(12,13)14/h4,6H,5,15H2,1-3H3
InChIKeyILXBRRIOMMODGI-UHFFFAOYSA-N
XLogP1.82
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(Trifluoromethyl)pyrimidine-4-carboxamide
CID 17750126
5-Amino-2-chloropyrimidine-4-carboxamide
CID 10583343
N-[3-(dimethylamino)-2,2-dimethylpropyl]-2-methylpyrimidine-4-carboxamide
CID 47292928
2-isopropyl-N-methyl-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4-carboxamide
CID 121501441
N-(2,2-difluoro-3,3-dimethylbutyl)pyrimidine-4-carboxamide
CID 58044325
1-Butyl-6-(difluoromethyl)-3-methylpyrimido[5,4-d]pyrimidine-2,4-dione
CID 58187354
N-(2,2-difluorobutyl)pyrimidine-4-carboxamide
CID 90125008
6-[Methyl(2,2,2-trifluoroethyl)amino]pyrimidine-4-carboxamide
CID 90798205
Piperazin-1-yl-[2-(trifluoromethyl)pyrimidin-4-yl]methanone
CID 110833891
2-Chloro-5-(2,2,2-trifluoroethylamino)pyrimidine-4-carboxamide
CID 117902042
5-(Difluoromethyl)pyrazolo[4,3-d]pyrimidin-3-one
CID 124107816
5-(Fluoromethyl)pyrazolo[4,3-d]pyrimidin-3-one
CID 124107817

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62159608) is 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(N)c(C(=O)N(C)CC(F)(F)F)n1.
What is the InChIKey of 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is ILXBRRIOMMODGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6(2)9-16-4-7(15)8(17-9)10(19)18(3)5-11(12,13)14/h4,6H,5,15H2,1-3H3.
What are the key properties of 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 276.26 g/mol, XLogP of 1.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62159608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).