5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

C25H25FN4O2S — CID 30636614

IUPAC5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN[C@@H](CN2CCOCC2)c2ccccc2)nc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C25H25FN4O2S/c26-19-8-6-17(7-9-19)20-16-33-25-23(20)24(31)28-22(29-25)14-27-21(18-4-2-1-3-5-18)15-30-10-12-32-13-11-30/h1-9,16,21,27H,10-15H2,(H,28,29,31)/t21-/m0/s1
InChIKeyXUFBOJAKZMIEMH-NRFANRHFSA-N
MW464.57 g/mol
LogP3.95
Rot. Bonds7

About 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one

5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 30636614) has the molecular formula C25H25FN4O2S and a molecular weight of 464.57 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID30636614
Molecular FormulaC25H25FN4O2S
Molecular Weight464.57 g/mol
Exact Mass464.17
IUPAC Name5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(CN[C@@H](CN2CCOCC2)c2ccccc2)nc2scc(-c3ccc(F)cc3)c12
InChIInChI=1S/C25H25FN4O2S/c26-19-8-6-17(7-9-19)20-16-33-25-23(20)24(31)28-22(29-25)14-27-21(18-4-2-1-3-5-18)15-30-10-12-32-13-11-30/h1-9,16,21,27H,10-15H2,(H,28,29,31)/t21-/m0/s1
InChIKeyXUFBOJAKZMIEMH-NRFANRHFSA-N
XLogP3.95
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.57
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-fluorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023047
5-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 28889653
2-benzyl-5-(4-propan-2-ylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 28890522
5-(3,4-dimethoxyphenyl)-2-[[(2-hydroxy-3-morpholin-4-ylpropyl)-methylamino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 46018797
5-(4-fluorophenyl)-2-(piperidin-1-ium-1-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023008
ethyl 4-[[5-(4-fluorophenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperazine-1-carboxylate
CID 9023058
2-[methyl-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methyl]amino]-N-(4-morpholin-4-ylphenyl)acetamide
CID 2534913
2-[[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]methyl]-5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023153
2-[[[(1R)-1-(2,4-difluorophenyl)ethyl]amino]methyl]-5-(furan-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 8784719
N-[(4-fluorophenyl)methyl]-2-[(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)methylsulfanyl]propanamide
CID 167850263
2-[(4-methoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 11842406
3-methyl-7-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 9451764

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one (CID 30636614) is 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(CN[C@@H](CN2CCOCC2)c2ccccc2)nc2scc(-c3ccc(F)cc3)c12.
What is the InChIKey of 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is XUFBOJAKZMIEMH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H25FN4O2S/c26-19-8-6-17(7-9-19)20-16-33-25-23(20)24(31)28-22(29-25)14-27-21(18-4-2-1-3-5-18)15-30-10-12-32-13-11-30/h1-9,16,21,27H,10-15H2,(H,28,29,31)/t21-/m0/s1.
What are the key properties of 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one?
5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 464.57 g/mol, XLogP of 3.95, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-[[[(1R)-2-morpholin-4-yl-1-phenylethyl]amino]methyl]-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 30636614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).