2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

C19H23N3O2S — CID 31994407

IUPAC2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCN(CCO)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1
InChIInChI=1S/C19H23N3O2S/c1-4-22(9-10-23)11-15-20-18(24)17-16(13(3)25-19(17)21-15)14-7-5-12(2)6-8-14/h5-8,23H,4,9-11H2,1-3H3,(H,20,21,24)
InChIKeyHWVXMKVOHPVYAM-UHFFFAOYSA-N
MW357.48 g/mol
LogP3.08
Rot. Bonds6

About 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one

2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 31994407) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID31994407
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCCN(CCO)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1
InChIInChI=1S/C19H23N3O2S/c1-4-22(9-10-23)11-15-20-18(24)17-16(13(3)25-19(17)21-15)14-7-5-12(2)6-8-14/h5-8,23H,4,9-11H2,1-3H3,(H,20,21,24)
InChIKeyHWVXMKVOHPVYAM-UHFFFAOYSA-N
XLogP3.08
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one with MolForge

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Related Compounds

2-(hydroxymethyl)-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167800748
2-[[bis(prop-2-enyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 78822202
N-[(3R)-1,1-dioxothiolan-3-yl]-2-[ethyl-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]acetamide
CID 41089609
3-[furan-2-ylmethyl-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]amino]propanenitrile
CID 78821101
2-(diethylaminomethyl)-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 2452307
6-methyl-5-(4-methylphenyl)-2-(thiophen-2-ylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 78838459
2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 110881274
2-[[4,4-bis(hydroxymethyl)piperidin-1-yl]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167880708
6-methyl-5-(4-methylphenyl)-2-[(4,5,6-trimethylpyrimidin-2-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one
CID 43016277
N-(2-hydroxyethyl)-1-[[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl]piperidine-4-carboxamide
CID 167966811
[6-methyl-5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]methyl thiophene-3-carboxylate
CID 9380882
2-[[4-hydroxy-3-(hydroxymethyl)piperidin-1-yl]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 167817418

Frequently Asked Questions

What is the IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 31994407) is 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is CCN(CCO)Cc1nc2sc(C)c(-c3ccc(C)cc3)c2c(=O)[nH]1.
What is the InChIKey of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is HWVXMKVOHPVYAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-4-22(9-10-23)11-15-20-18(24)17-16(13(3)25-19(17)21-15)14-7-5-12(2)6-8-14/h5-8,23H,4,9-11H2,1-3H3,(H,20,21,24).
What are the key properties of 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 357.48 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[ethyl(2-hydroxyethyl)amino]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 31994407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).