2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C26H28N4O2S — CID 40972464

IUPAC2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C26H28N4O2S/c1-18(29(2)16-20-10-6-7-11-22(20)30-12-14-32-15-13-30)24-27-25(31)23-21(17-33-26(23)28-24)19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,27,28,31)/t18-/m0/s1
InChIKeyFJHLUMYUARGJCC-SFHVURJKSA-N
MW460.60 g/mol
LogP4.68
Rot. Bonds6

About 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 40972464) has the molecular formula C26H28N4O2S and a molecular weight of 460.60 g/mol. Its IUPAC name is 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID40972464
Molecular FormulaC26H28N4O2S
Molecular Weight460.60 g/mol
Exact Mass460.19
IUPAC Name2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESC[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N(C)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C26H28N4O2S/c1-18(29(2)16-20-10-6-7-11-22(20)30-12-14-32-15-13-30)24-27-25(31)23-21(17-33-26(23)28-24)19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,27,28,31)/t18-/m0/s1
InChIKeyFJHLUMYUARGJCC-SFHVURJKSA-N
XLogP4.68
TPSA61.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.60
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
N,N-dimethyl-1-(4-morpholin-4-yl-5-phenylthieno[2,3-d]pyrimidin-2-yl)methanamine
CID 133278686
[(1R)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl] pyrrolidine-1-carbodithioate
CID 30064866
5-(furan-2-yl)-2-[1-[methyl-[(4-methylsulfanylphenyl)methyl]amino]ethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 42926038
2-[(1R)-1-[methyl-[(3-methylthiophen-2-yl)methyl]amino]ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 9023237
2-[(1R)-1-[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 30622982
2-[[benzyl(methyl)amino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2468088
(2S)-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-N-phenylpropanamide
CID 26381814
4-[[4-[(1S)-1-(4-oxo-5-phenyl-3H-thieno[2,3-d]pyrimidin-2-yl)ethyl]piperazin-1-yl]methyl]benzonitrile
CID 30622693
2-[[[(2S)-4-ethyl-2,3-dihydro-1,4-benzoxazin-2-yl]methyl-methylamino]methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 31429885
(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 34875886

Frequently Asked Questions

What is the IUPAC name of 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 40972464) is 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is C[C@@H](c1nc2scc(-c3ccccc3)c2c(=O)[nH]1)N(C)Cc1ccccc1N1CCOCC1.
What is the InChIKey of 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is FJHLUMYUARGJCC-SFHVURJKSA-N. The full InChI is InChI=1S/C26H28N4O2S/c1-18(29(2)16-20-10-6-7-11-22(20)30-12-14-32-15-13-30)24-27-25(31)23-21(17-33-26(23)28-24)19-8-4-3-5-9-19/h3-11,17-18H,12-16H2,1-2H3,(H,27,28,31)/t18-/m0/s1.
What are the key properties of 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 460.60 g/mol, XLogP of 4.68, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S)-1-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]ethyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 40972464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).