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

C11H13ClF3N3O — CID 62016557

IUPAC5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c1-6(2)9-16-4-7(12)8(17-9)10(19)18(3)5-11(13,14)15/h4,6H,5H2,1-3H3
InChIKeyGUECVXRYIQCCJA-UHFFFAOYSA-N
MW295.69 g/mol
LogP2.89
Rot. Bonds3

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

5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (PubChem CID 62016557) has the molecular formula C11H13ClF3N3O and a molecular weight of 295.69 g/mol. Its IUPAC name is 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
PubChem CID62016557
Molecular FormulaC11H13ClF3N3O
Molecular Weight295.69 g/mol
Exact Mass295.07
IUPAC Name5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide
SMILESCC(C)c1ncc(Cl)c(C(=O)N(C)CC(F)(F)F)n1
InChIInChI=1S/C11H13ClF3N3O/c1-6(2)9-16-4-7(12)8(17-9)10(19)18(3)5-11(13,14)15/h4,6H,5H2,1-3H3
InChIKeyGUECVXRYIQCCJA-UHFFFAOYSA-N
XLogP2.89
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.69
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Chloro-2-(propan-2-yl)pyrimidine-4-carboxamide
CID 53613703
5-chloro-N-cyclopropyl-2-(diethylamino)pyrimidine-4-carboxamide
CID 47430928
1,3,4,5,7,8,9,9a-Octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 49222285
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopentylpiperazin-1-yl)methanone
CID 56821074
(5-Chloro-2-propan-2-ylpyrimidin-4-yl)-(4-cyclopropylpiperazin-1-yl)methanone
CID 56821165
1,3,4,6,7,8,9,9a-Octahydropyrido[1,2-a]pyrazin-2-yl-(5-chloro-2-propan-2-ylpyrimidin-4-yl)methanone
CID 56821323
(5-Chloropyrimidin-4-yl)-(3-methylpiperidin-1-yl)methanone
CID 72104418
(5-Chloro-2-(methylthio)pyrimidin-4-yl)(4-ethylpiperazin-1-yl)methanone
CID 6463586
5-chloro-N-cycloheptyl-2-(diethylamino)-N-methylpyrimidine-4-carboxamide
CID 71884999
Azocan-1-yl-(5-chloropyrimidin-4-yl)methanone
CID 71924282
(5-Chloro-2-methylpyrimidin-4-yl)-[3-(dimethylamino)-4-ethylpyrrolidin-1-yl]methanone
CID 71927728
(3S)-1-[2-[butyl(methyl)amino]-5-chloropyrimidine-4-carbonyl]pyrrolidine-3-carboxamide
CID 94657893

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide (CID 62016557) is 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is CC(C)c1ncc(Cl)c(C(=O)N(C)CC(F)(F)F)n1.
What is the InChIKey of 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
The InChIKey is GUECVXRYIQCCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O/c1-6(2)9-16-4-7(12)8(17-9)10(19)18(3)5-11(13,14)15/h4,6H,5H2,1-3H3.
What are the key properties of 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide?
5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide has a molecular weight of 295.69 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-2-propan-2-yl-N-(2,2,2-trifluoroethyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 62016557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).