3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

C10H10ClF3N4O — CID 106257555

IUPAC3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C10H10ClF3N4O/c1-18-3-2-5(8(18)19)15-7-4-6(11)16-9(17-7)10(12,13)14/h4-5H,2-3H2,1H3,(H,15,16,17)
InChIKeyZHCZGGOTLCUORS-UHFFFAOYSA-N
MW294.66 g/mol
LogP1.79
Rot. Bonds2

About 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one

3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (PubChem CID 106257555) has the molecular formula C10H10ClF3N4O and a molecular weight of 294.66 g/mol. Its IUPAC name is 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
PubChem CID106257555
Molecular FormulaC10H10ClF3N4O
Molecular Weight294.66 g/mol
Exact Mass294.05
IUPAC Name3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one
SMILESCN1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1=O
InChIInChI=1S/C10H10ClF3N4O/c1-18-3-2-5(8(18)19)15-7-4-6(11)16-9(17-7)10(12,13)14/h4-5H,2-3H2,1H3,(H,15,16,17)
InChIKeyZHCZGGOTLCUORS-UHFFFAOYSA-N
XLogP1.79
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.66
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-((2-Amino-6-chloropyrimidin-4-yl)amino)-1-(pyrrolidin-1-yl)ethan-1-one
CID 45806937
1-(6-Chloropyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 54592642
2-(4,6-dichloro-pyrimidin-2-ylamino)-N-(2,2,2-trifluoro-ethyl)-propionamide
CID 86614829
2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87774717
(2S)-2-[(4,6-dichloropyrimidin-2-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869769
(2S)-2-[(2,6-dichloropyrimidin-4-yl)amino]-N-(2,2,2-trifluoroethyl)propanamide
CID 87869858
1-[4-[6-Chloro-2-[(4,4-difluorocyclohexyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 132207131
1-[4-[[6-Chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]piperidin-1-yl]ethanone
CID 166070959
(2R)-2-[[6-[(3S,4S)-3,4-difluoropyrrolidin-1-yl]pyrimidin-4-yl]amino]-1-[(2S)-2-methylazetidin-1-yl]propan-1-one
CID 178127236
1-{3-[(2-Amino-6-chloropyrimidin-4-yl)amino]propyl}pyrrolidin-2-one
CID 40011507
2-Methyl-4-chloro-6-(2-oxo-1-pyrrolidinyl)pyrimidine
CID 1382128
3-[(2-Amino-6-chloropyrimidin-4-yl)-methylamino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56805314

Frequently Asked Questions

What is the IUPAC name of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The IUPAC name of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one (CID 106257555) is 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is CN1CCC(Nc2cc(Cl)nc(C(F)(F)F)n2)C1=O.
What is the InChIKey of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
The InChIKey is ZHCZGGOTLCUORS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClF3N4O/c1-18-3-2-5(8(18)19)15-7-4-6(11)16-9(17-7)10(12,13)14/h4-5H,2-3H2,1H3,(H,15,16,17).
What are the key properties of 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one?
3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one has a molecular weight of 294.66 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 106257555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).