2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

C20H25N3O3S — CID 46017968

IUPAC2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOCCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)CC(O)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-13-14(2)27-20-18(13)19(25)21-17(22-20)12-23(9-10-26-3)11-16(24)15-7-5-4-6-8-15/h4-8,16,24H,9-12H2,1-3H3,(H,21,22,25)
InChIKeyWSWBYESWJOUDSE-UHFFFAOYSA-N
MW387.51 g/mol
LogP2.78
Rot. Bonds8

About 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 46017968) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID46017968
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOCCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)CC(O)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-13-14(2)27-20-18(13)19(25)21-17(22-20)12-23(9-10-26-3)11-16(24)15-7-5-4-6-8-15/h4-8,16,24H,9-12H2,1-3H3,(H,21,22,25)
InChIKeyWSWBYESWJOUDSE-UHFFFAOYSA-N
XLogP2.78
TPSA78.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[[(2S)-2-hydroxy-3-(2-methylpropoxy)propyl]-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93194330
2-[[[(2S)-2-hydroxyhex-5-enyl]-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93195616
2-[[[(2R)-2-hydroxy-3-prop-2-enoxypropyl]-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93195618
2-[[[2-hydroxy-3-[(2-methylpropan-2-yl)oxy]propyl]-(3-methoxypropyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46018006
2-[[[2-hydroxy-3-(2-methylphenoxy)propyl]-(3-methylbutyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 46018525
2-[[(2-hydroxy-3-phenylpropyl)-(2-methoxyethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 46015826
(1R)-2-[2-methoxyethyl-[(5-methylthiophen-2-yl)methyl]amino]-1-phenylethanol
CID 93163298
2-[[2-hydroxypropyl(methyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 24714825
2-[[[(2R)-2-hydroxy-3-phenoxypropyl]-(2-methoxyethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 93182471
2-[[[(2R)-2-hydroxy-3-phenylmethoxypropyl]-prop-2-enylamino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 93194477
(7S)-2-[[[(2R)-2-hydroxy-2-phenylethyl]-propylamino]methyl]-7-methyl-5,6,7,8-tetrahydro-3H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 93194607
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307

Frequently Asked Questions

What is the IUPAC name of 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 46017968) is 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is COCCN(Cc1nc2sc(C)c(C)c2c(=O)[nH]1)CC(O)c1ccccc1.
What is the InChIKey of 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WSWBYESWJOUDSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-13-14(2)27-20-18(13)19(25)21-17(22-20)12-23(9-10-26-3)11-16(24)15-7-5-4-6-8-15/h4-8,16,24H,9-12H2,1-3H3,(H,21,22,25).
What are the key properties of 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 387.51 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2-hydroxy-2-phenylethyl)-(2-methoxyethyl)amino]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 46017968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).