3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol

C23H29N5O3S — CID 170574457

IUPAC3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol
SMILESCC(C)(O)CCNc1nccc(-c2csc(-c3ccccc3)n2)n1.CN1CCC(O)C1=O
InChIInChI=1S/C18H20N4OS.C5H9NO2/c1-18(2,23)9-11-20-17-19-10-8-14(22-17)15-12-24-16(21-15)13-6-4-3-5-7-13;1-6-3-2-4(7)5(6)8/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,20,22);4,7H,2-3H2,1H3
InChIKeyBZFOSLLLPZQAEA-UHFFFAOYSA-N
MW455.58 g/mol
LogP3.05
Rot. Bonds6

About 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol

3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol (PubChem CID 170574457) has the molecular formula C23H29N5O3S and a molecular weight of 455.58 g/mol. Its IUPAC name is 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol.

Molecular Properties

Compound Name3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol
PubChem CID170574457
Molecular FormulaC23H29N5O3S
Molecular Weight455.58 g/mol
Exact Mass455.20
IUPAC Name3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol
SMILESCC(C)(O)CCNc1nccc(-c2csc(-c3ccccc3)n2)n1.CN1CCC(O)C1=O
InChIInChI=1S/C18H20N4OS.C5H9NO2/c1-18(2,23)9-11-20-17-19-10-8-14(22-17)15-12-24-16(21-15)13-6-4-3-5-7-13;1-6-3-2-4(7)5(6)8/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,20,22);4,7H,2-3H2,1H3
InChIKeyBZFOSLLLPZQAEA-UHFFFAOYSA-N
XLogP3.05
TPSA111.47 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.05
H-Bond Donors ≤ 53
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
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
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
3-hydroxy-1-methylpyrrolidin-2-one;N-(oxetan-3-yl)-4-(4-phenyl-1,3-thiazol-2-yl)pyrimidin-2-amine
CID 170574110
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
(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
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
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-1-methyl-3-[3-[4-[2-(oxolan-2-ylmethylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573920
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-(3-methylsulfonylpropylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170573725
(3R)-3-hydroxy-1-methyl-3-[3-[4-[2-[(6-methyl-2-pyridinyl)methylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]pyrrolidin-2-one
CID 170574297

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol?
The IUPAC name of 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) is 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol.
What is the SMILES notation for 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol?
The canonical SMILES for 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol is CC(C)(O)CCNc1nccc(-c2csc(-c3ccccc3)n2)n1.CN1CCC(O)C1=O.
What is the InChIKey of 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol?
The InChIKey is BZFOSLLLPZQAEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4OS.C5H9NO2/c1-18(2,23)9-11-20-17-19-10-8-14(22-17)15-12-24-16(21-15)13-6-4-3-5-7-13;1-6-3-2-4(7)5(6)8/h3-8,10,12,23H,9,11H2,1-2H3,(H,19,20,22);4,7H,2-3H2,1H3.
What are the key properties of 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol?
3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol has a molecular weight of 455.58 g/mol, XLogP of 3.05, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-methylpyrrolidin-2-one;2-methyl-4-[[4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-yl]amino]butan-2-ol is sourced from PubChem (CID 170574457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).