N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

C15H22F3N5O — CID 167985789

IUPACN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ccnc(N(C)C)n1)C(=O)C1CCCN1CC(F)(F)F
InChIInChI=1S/C15H22F3N5O/c1-21(2)14-19-7-6-11(20-14)9-22(3)13(24)12-5-4-8-23(12)10-15(16,17)18/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyUPSFECLQJZYYFT-UHFFFAOYSA-N
MW345.37 g/mol
LogP1.53
Rot. Bonds5

About N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (PubChem CID 167985789) has the molecular formula C15H22F3N5O and a molecular weight of 345.37 g/mol. Its IUPAC name is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
PubChem CID167985789
Molecular FormulaC15H22F3N5O
Molecular Weight345.37 g/mol
Exact Mass345.18
IUPAC NameN-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
SMILESCN(Cc1ccnc(N(C)C)n1)C(=O)C1CCCN1CC(F)(F)F
InChIInChI=1S/C15H22F3N5O/c1-21(2)14-19-7-6-11(20-14)9-22(3)13(24)12-5-4-8-23(12)10-15(16,17)18/h6-7,12H,4-5,8-10H2,1-3H3
InChIKeyUPSFECLQJZYYFT-UHFFFAOYSA-N
XLogP1.53
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.37
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-methyl-N-[2-(1,3-thiazol-2-yl)ethyl]-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 164628606
2-chloro-N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methylacetamide
CID 146107324
1-benzyl-N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 86855477
N-(1,3-thiazol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide
CID 154748675
2,2,2-trifluoroethyl (2S)-2-[methyl-[(1-methylimidazol-2-yl)methyl]carbamoyl]pyrrolidine-1-carboxylate
CID 95245000
1-[2-(dimethylamino)pyrimidin-4-yl]piperidine-2-carboxylic acid
CID 64831026
(2R,3R)-2-cyclopropyl-N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]piperidine-3-carboxamide
CID 138000209
N'-hydroxy-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboximidamide
CID 77036256
(2R)-1-benzyl-N-methyl-N-(1,2,4-oxadiazol-3-ylmethyl)pyrrolidine-2-carboxamide
CID 125137031
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 86853856
methyl 4-[[methyl-[(3R)-1-(2,2,2-trifluoroethyl)piperidine-3-carbonyl]amino]methyl]benzoate
CID 97061327
4-[[methyl-[(2S)-1-methylsulfonylpyrrolidine-2-carbonyl]amino]methyl]benzoic acid
CID 125148660

Frequently Asked Questions

What is the IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The IUPAC name of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide (CID 167985789) is N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is CN(Cc1ccnc(N(C)C)n1)C(=O)C1CCCN1CC(F)(F)F.
What is the InChIKey of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
The InChIKey is UPSFECLQJZYYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F3N5O/c1-21(2)14-19-7-6-11(20-14)9-22(3)13(24)12-5-4-8-23(12)10-15(16,17)18/h6-7,12H,4-5,8-10H2,1-3H3.
What are the key properties of N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide?
N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide has a molecular weight of 345.37 g/mol, XLogP of 1.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-N-methyl-1-(2,2,2-trifluoroethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167985789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).