1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one

C17H18F3N5O — CID 133366559

IUPAC1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H18F3N5O/c1-2-15(26)25-8-5-12(10-25)22-14-9-13(17(18,19)20)23-16(24-14)11-3-6-21-7-4-11/h3-4,6-7,9,12H,2,5,8,10H2,1H3,(H,22,23,24)
InChIKeyHYQKBPJRSOBRFR-UHFFFAOYSA-N
MW365.36 g/mol
LogP2.98
Rot. Bonds4

About 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one

1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one (PubChem CID 133366559) has the molecular formula C17H18F3N5O and a molecular weight of 365.36 g/mol. Its IUPAC name is 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
PubChem CID133366559
Molecular FormulaC17H18F3N5O
Molecular Weight365.36 g/mol
Exact Mass365.15
IUPAC Name1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one
SMILESCCC(=O)N1CCC(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1
InChIInChI=1S/C17H18F3N5O/c1-2-15(26)25-8-5-12(10-25)22-14-9-13(17(18,19)20)23-16(24-14)11-3-6-21-7-4-11/h3-4,6-7,9,12H,2,5,8,10H2,1H3,(H,22,23,24)
InChIKeyHYQKBPJRSOBRFR-UHFFFAOYSA-N
XLogP2.98
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.36
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-ethyl-3-[1-[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidin-3-yl]urea
CID 166325400
N-cyclopent-3-en-1-yl-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133362287
N-(3-ethylsulfinylcyclohexyl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133337979
N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133381144
N-(2-pentan-3-yloxan-4-yl)-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133440386
1-[3-[[3-(trifluoromethyl)-1,2,4-thiadiazol-5-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 146127075
N,N-dimethyl-6-[(1-propanoylpyrrolidin-3-yl)amino]pyridine-3-carboxamide
CID 133366737
N-[2-(3-methylpiperidin-1-yl)propyl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 133328250
1-morpholin-4-yl-2-[4-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenyl]ethanone
CID 167963906
2-pyridin-4-yl-N-[[1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]methyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 133318458
1-[3-[[5-(4-methylpiperidine-1-carbonyl)-2-pyridinyl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366494
1-[3-[[5-methyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]amino]pyrrolidin-1-yl]propan-1-one
CID 133366729

Frequently Asked Questions

What is the IUPAC name of 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one (CID 133366559) is 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one is CCC(=O)N1CCC(Nc2cc(C(F)(F)F)nc(-c3ccncc3)n2)C1.
What is the InChIKey of 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one?
The InChIKey is HYQKBPJRSOBRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N5O/c1-2-15(26)25-8-5-12(10-25)22-14-9-13(17(18,19)20)23-16(24-14)11-3-6-21-7-4-11/h3-4,6-7,9,12H,2,5,8,10H2,1H3,(H,22,23,24).
What are the key properties of 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one?
1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one has a molecular weight of 365.36 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 133366559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).