3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine

C21H23N5O3S — CID 170574110

IUPAC3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCN1CCC(O)C1=O.c1ccc(-c2csc(-c3ccnc(NC4COC4)n3)n2)cc1
InChIInChI=1S/C16H14N4OS.C5H9NO2/c1-2-4-11(5-3-1)14-10-22-15(19-14)13-6-7-17-16(20-13)18-12-8-21-9-12;1-6-3-2-4(7)5(6)8/h1-7,10,12H,8-9H2,(H,17,18,20);4,7H,2-3H2,1H3
InChIKeyWIYLDILGNXGJJF-UHFFFAOYSA-N
MW425.51 g/mol
LogP2.29
Rot. Bonds4

About 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine

3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine (PubChem CID 170574110) has the molecular formula C21H23N5O3S and a molecular weight of 425.51 g/mol. Its IUPAC name is 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
PubChem CID170574110
Molecular FormulaC21H23N5O3S
Molecular Weight425.51 g/mol
Exact Mass425.15
IUPAC Name3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
SMILESCN1CCC(O)C1=O.c1ccc(-c2csc(-c3ccnc(NC4COC4)n3)n2)cc1
InChIInChI=1S/C16H14N4OS.C5H9NO2/c1-2-4-11(5-3-1)14-10-22-15(19-14)13-6-7-17-16(20-13)18-12-8-21-9-12;1-6-3-2-4(7)5(6)8/h1-7,10,12H,8-9H2,(H,17,18,20);4,7H,2-3H2,1H3
InChIKeyWIYLDILGNXGJJF-UHFFFAOYSA-N
XLogP2.29
TPSA100.47 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.51
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

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;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol
CID 170574457
sodium;3-hydroxy-1-methylpyrrolidin-2-one;oxolane;2-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]prop-2-enylideneazanide
CID 170573765
3-hydroxy-1-methylpyrrolidin-2-one;5-methyl-2-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]-6,7-dihydropyrazolo[1,5-a]pyrazin-4-one
CID 170573881
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
N-(oxan-4-yl)-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 170574382
3-hydroxy-1-methylpyrrolidin-2-one;4-[6-(1,2-oxazol-3-yl)-2-pyridinyl]-N-[4-(trifluoromethyl)cyclohexyl]pyrimidin-2-amine
CID 170573453
1-methyl-3-[(4-phenyl-1,3-thiazol-2-yl)amino]pyrrolidin-2-one
CID 71921220
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[[(1R,5S)-3-oxabicyclo[3.1.0]hexan-6-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573991
(3R)-3-hydroxy-3-[3-[4-[2-[[(1S,3R)-3-hydroxycyclopentyl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-1-methylpyrrolidin-2-one
CID 177281706
(1-ethyl-3-methoxypyrazol-4-yl)-dimethyl-[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]azanium;3-hydroxy-1-methylpyrrolidin-2-one
CID 170574045
4-[[4-[2-[3-(3-hydroxy-1-methyl-2-oxopyrrolidin-3-yl)phenyl]-1,3-thiazol-4-yl]pyrimidin-2-yl]amino]cyclohexane-1-carbonitrile
CID 170574096

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The IUPAC name of 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine (CID 170574110) is 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine.
What is the SMILES notation for 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The canonical SMILES for 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine is CN1CCC(O)C1=O.c1ccc(-c2csc(-c3ccnc(NC4COC4)n3)n2)cc1.
What is the InChIKey of 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
The InChIKey is WIYLDILGNXGJJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4OS.C5H9NO2/c1-2-4-11(5-3-1)14-10-22-15(19-14)13-6-7-17-16(20-13)18-12-8-21-9-12;1-6-3-2-4(7)5(6)8/h1-7,10,12H,8-9H2,(H,17,18,20);4,7H,2-3H2,1H3.
What are the key properties of 3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine?
3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine has a molecular weight of 425.51 g/mol, XLogP of 2.29, 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;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine is sourced from PubChem (CID 170574110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).