N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one

C23H24FN7O2S — CID 170573872

IUPACN-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)C1=O.FCCn1cnc(Nc2nccc(-c3csc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C18H15FN6S.C5H9NO2/c19-7-9-25-10-16(21-12-25)24-18-20-8-6-14(23-18)15-11-26-17(22-15)13-4-2-1-3-5-13;1-6-3-2-4(7)5(6)8/h1-6,8,10-12H,7,9H2,(H,20,23,24);4,7H,2-3H2,1H3
InChIKeySVETZFQAQWOJRV-UHFFFAOYSA-N
MW481.56 g/mol
LogP3.39
Rot. Bonds6

About N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one

N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one (PubChem CID 170573872) has the molecular formula C23H24FN7O2S and a molecular weight of 481.56 g/mol. Its IUPAC name is N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one.

Molecular Properties

Compound NameN-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
PubChem CID170573872
Molecular FormulaC23H24FN7O2S
Molecular Weight481.56 g/mol
Exact Mass481.17
IUPAC NameN-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one
SMILESCN1CCC(O)C1=O.FCCn1cnc(Nc2nccc(-c3csc(-c4ccccc4)n3)n2)c1
InChIInChI=1S/C18H15FN6S.C5H9NO2/c19-7-9-25-10-16(21-12-25)24-18-20-8-6-14(23-18)15-11-26-17(22-15)13-4-2-1-3-5-13;1-6-3-2-4(7)5(6)8/h1-6,8,10-12H,7,9H2,(H,20,23,24);4,7H,2-3H2,1H3
InChIKeySVETZFQAQWOJRV-UHFFFAOYSA-N
XLogP3.39
TPSA109.06 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.56
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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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;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;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
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
N-[3-(2,2-difluoroethoxy)-1-methylpyrazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine
CID 170406425
(3R)-3-hydroxy-3-[3-[4-[2-[2-[1-(2-methoxyethyl)imidazol-4-yl]ethylamino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-1-methylpyrrolidin-2-one
CID 177281767
3-[3-[4-[2-[[3-cyclopropyloxy-1-(2,2-difluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573763
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
(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
(3R)-3-[3-[4-[2-[[1-(cyclopropylmethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]-1,3-thiazol-2-yl]phenyl]-3-hydroxy-1-methylpyrrolidin-2-one
CID 170573886

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
The IUPAC name of 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) is N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one.
What is the SMILES notation for N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
The canonical SMILES for N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one is CN1CCC(O)C1=O.FCCn1cnc(Nc2nccc(-c3csc(-c4ccccc4)n3)n2)c1.
What is the InChIKey of N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
The InChIKey is SVETZFQAQWOJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6S.C5H9NO2/c19-7-9-25-10-16(21-12-25)24-18-20-8-6-14(23-18)15-11-26-17(22-15)13-4-2-1-3-5-13;1-6-3-2-4(7)5(6)8/h1-6,8,10-12H,7,9H2,(H,20,23,24);4,7H,2-3H2,1H3.
What are the key properties of N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one?
N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one has a molecular weight of 481.56 g/mol, XLogP of 3.39, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoroethyl)imidazol-4-yl]-4-(2-phenyl-1,3-thiazol-4-yl)pyrimidin-2-amine;3-hydroxy-1-methylpyrrolidin-2-one is sourced from PubChem (CID 170573872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).