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

C22H25N5O2S — CID 170573794

IUPACN-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)C1=O.c1ccc(-c2nc(-c3ccnc(NC4CCC4)n3)cs2)cc1
InChIInChI=1S/C17H16N4S.C5H9NO2/c1-2-5-12(6-3-1)16-20-15(11-22-16)14-9-10-18-17(21-14)19-13-7-4-8-13;1-6-3-2-4(7)5(6)8/h1-3,5-6,9-11,13H,4,7-8H2,(H,18,19,21);4,7H,2-3H2,1H3
InChIKeyHHVMTZIPWIFCDE-UHFFFAOYSA-N
MW423.54 g/mol
LogP3.44
Rot. Bonds4

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

N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170573794) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound NameN-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170573794
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC NameN-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)C1=O.c1ccc(-c2nc(-c3ccnc(NC4CCC4)n3)cs2)cc1
InChIInChI=1S/C17H16N4S.C5H9NO2/c1-2-5-12(6-3-1)16-20-15(11-22-16)14-9-10-18-17(21-14)19-13-7-4-8-13;1-6-3-2-4(7)5(6)8/h1-3,5-6,9-11,13H,4,7-8H2,(H,18,19,21);4,7H,2-3H2,1H3
InChIKeyHHVMTZIPWIFCDE-UHFFFAOYSA-N
XLogP3.44
TPSA91.24 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

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
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;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
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
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
(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
(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
1-methyl-4,5-didehydro-2,3-dihydropyridin-6-one;4-(2-phenyl-1,3-thiazol-4-yl)-N-(pyrimidin-4-ylmethyl)pyrimidin-2-amine
CID 170573993

Frequently Asked Questions

What is the IUPAC name of N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one (CID 170573794) is N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)C1=O.c1ccc(-c2nc(-c3ccnc(NC4CCC4)n3)cs2)cc1.
What is the InChIKey of N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is HHVMTZIPWIFCDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4S.C5H9NO2/c1-2-5-12(6-3-1)16-20-15(11-22-16)14-9-10-18-17(21-14)19-13-7-4-8-13;1-6-3-2-4(7)5(6)8/h1-3,5-6,9-11,13H,4,7-8H2,(H,18,19,21);4,7H,2-3H2,1H3.
What are the key properties of N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 423.54 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclobutyl-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170573794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).