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

C17H25F3N4O — CID 56917213

IUPAC1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCC(C)c1cc(NC2CC(=O)N(CC(C)(C)C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N4O/c1-10(2)12-7-13(23-15(22-12)17(18,19)20)21-11-6-14(25)24(8-11)9-16(3,4)5/h7,10-11H,6,8-9H2,1-5H3,(H,21,22,23)
InChIKeyKYICFIKESPVAFN-UHFFFAOYSA-N
MW358.41 g/mol
LogP3.68
Rot. Bonds4

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

1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one (PubChem CID 56917213) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
PubChem CID56917213
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC Name1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one
SMILESCC(C)c1cc(NC2CC(=O)N(CC(C)(C)C)C2)nc(C(F)(F)F)n1
InChIInChI=1S/C17H25F3N4O/c1-10(2)12-7-13(23-15(22-12)17(18,19)20)21-11-6-14(25)24(8-11)9-16(3,4)5/h7,10-11H,6,8-9H2,1-5H3,(H,21,22,23)
InChIKeyKYICFIKESPVAFN-UHFFFAOYSA-N
XLogP3.68
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-propan-2-ylpyrimidin-2-amine
CID 24994635
4-[(3R)-3-(methylamino)pyrrolidin-1-yl]-6-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 118720437
4-[(4,6-Dimethyl-2-pyrimidinyl)amino]-1-methyl-2-pyrrolidinone
CID 45182021
N-[2-[6-(4-acetylpiperazin-1-yl)-2-cyclopropylpyrimidin-4-yl]ethyl]propanamide
CID 46974097
N-[2-[2-cyclopropyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]ethyl]cyclobutanecarboxamide
CID 46974099
N-{2-[(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)amino]ethyl}acetamide
CID 50950552
N-[1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 56707526
2-(Dimethylamino)-8-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 56713348
N-methyl-1-(2-methyl-6-piperidin-4-ylpyrimidin-4-yl)pyrrolidine-3-carboxamide
CID 56713366
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-{2-[4-methyl-6-(trifluoromethyl)-2-pyrimidinyl]ethyl}-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 56918316
(4S)-4-amino-1-[2-(dimethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]-N-ethyl-L-prolinamide
CID 70757415

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The IUPAC name of 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one (CID 56917213) is 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The canonical SMILES for 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one is CC(C)c1cc(NC2CC(=O)N(CC(C)(C)C)C2)nc(C(F)(F)F)n1.
What is the InChIKey of 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
The InChIKey is KYICFIKESPVAFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-10(2)12-7-13(23-15(22-12)17(18,19)20)21-11-6-14(25)24(8-11)9-16(3,4)5/h7,10-11H,6,8-9H2,1-5H3,(H,21,22,23).
What are the key properties of 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one?
1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one has a molecular weight of 358.41 g/mol, XLogP of 3.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-4-[[6-propan-2-yl-2-(trifluoromethyl)pyrimidin-4-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 56917213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).