3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine

C24H27F3N6O3 — CID 170573453

IUPAC3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
SMILESCN1CCC(O)C1=O.FC(F)(F)C1CCC(Nc2nccc(-c3cccc(-c4ccon4)n3)n2)CC1
InChIInChI=1S/C19H18F3N5O.C5H9NO2/c20-19(21,22)12-4-6-13(7-5-12)24-18-23-10-8-16(26-18)14-2-1-3-15(25-14)17-9-11-28-27-17;1-6-3-2-4(7)5(6)8/h1-3,8-13H,4-7H2,(H,23,24,26);4,7H,2-3H2,1H3
InChIKeyCOHQAMCQMWCTCJ-UHFFFAOYSA-N
MW504.51 g/mol
LogP3.94
Rot. Bonds4

About 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine

3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine (PubChem CID 170573453) has the molecular formula C24H27F3N6O3 and a molecular weight of 504.51 g/mol. Its IUPAC name is 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine.

Molecular Properties

Compound Name3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
PubChem CID170573453
Molecular FormulaC24H27F3N6O3
Molecular Weight504.51 g/mol
Exact Mass504.21
IUPAC Name3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
SMILESCN1CCC(O)C1=O.FC(F)(F)C1CCC(Nc2nccc(-c3cccc(-c4ccon4)n3)n2)CC1
InChIInChI=1S/C19H18F3N5O.C5H9NO2/c20-19(21,22)12-4-6-13(7-5-12)24-18-23-10-8-16(26-18)14-2-1-3-15(25-14)17-9-11-28-27-17;1-6-3-2-4(7)5(6)8/h1-3,8-13H,4-7H2,(H,23,24,26);4,7H,2-3H2,1H3
InChIKeyCOHQAMCQMWCTCJ-UHFFFAOYSA-N
XLogP3.94
TPSA117.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.51
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 170573475
CID 170573475
N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
CID 170573794
3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 170574110
3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol
CID 170574457
N-ethyl-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170573643
4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-propylpyrimidin-2-amine
CID 170573663
(3R)-3-hydroxy-1-methyl-3-[3-[6-[2-[[(3S)-oxan-3-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]pyrrolidin-2-one
CID 177263137
3-hydroxy-1-methylpyrrolidin-2-one;1-[3-(1,2-oxazol-3-yl)phenyl]pyrazole-3-carboxamide
CID 170575085
N-[1-(2-methyl-1,5-dihydropyrazol-5-yl)ethyl]-4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]pyrimidin-2-amine
CID 170382755
(3S)-3-[3-[6-[2-[[(2S)-1-(3,3-difluoroazetidin-1-yl)-1-oxopropan-2-yl]amino]pyrimidin-4-yl]-2-pyridinyl]-1,2-oxazol-5-yl]-1-methylpyrrolidin-2-one
CID 170384332
N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
CID 170573872
(2S)-N-methyl-2-[[4-[6-[5-[(3S)-1-methyl-2-oxopyrrolidin-3-yl]-1,2-oxazol-3-yl]-2-pyridinyl]pyrimidin-2-yl]amino]-N-phenylpropanamide
CID 170384435

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
The IUPAC name of 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine (CID 170573453) is 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine.
What is the SMILES notation for 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
The canonical SMILES for 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine is CN1CCC(O)C1=O.FC(F)(F)C1CCC(Nc2nccc(-c3cccc(-c4ccon4)n3)n2)CC1.
What is the InChIKey of 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
The InChIKey is COHQAMCQMWCTCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N5O.C5H9NO2/c20-19(21,22)12-4-6-13(7-5-12)24-18-23-10-8-16(26-18)14-2-1-3-15(25-14)17-9-11-28-27-17;1-6-3-2-4(7)5(6)8/h1-3,8-13H,4-7H2,(H,23,24,26);4,7H,2-3H2,1H3.
What are the key properties of 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine?
3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine has a molecular weight of 504.51 g/mol, XLogP of 3.94, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine is sourced from PubChem (CID 170573453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).