(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

C19H16N2O2S — CID 7288086

IUPAC(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-14-9-7-13(8-10-14)17-20-18(22)16-15(11-24-19(16)21-17)12-5-3-2-4-6-12/h2-11,17,21H,1H3,(H,20,22)/t17-/m0/s1
InChIKeyGKUNFYCWCFZHKB-KRWDZBQOSA-N
MW336.42 g/mol
LogP4.28
Rot. Bonds3

About (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one

(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 7288086) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID7288086
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)cc1
InChIInChI=1S/C19H16N2O2S/c1-23-14-9-7-13(8-10-14)17-20-18(22)16-15(11-24-19(16)21-17)12-5-3-2-4-6-12/h2-11,17,21H,1H3,(H,20,22)/t17-/m0/s1
InChIKeyGKUNFYCWCFZHKB-KRWDZBQOSA-N
XLogP4.28
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288093
(2S)-2-(2-chlorophenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
CID 7288059
(5S)-11-benzyl-5-(4-methoxyphenyl)-8-thia-4,6-diaza-11-azoniatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 7270793
(2S)-2-(4-methoxyphenyl)-2,3-dihydro-1H-pyrido[2,3-d]pyrimidin-4-one
CID 95157848
(5S)-5-(4-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 931607
(5R)-5-(4-methoxyphenyl)-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7)-dien-3-one
CID 931606
5-fluoro-5-(3-methoxyphenyl)-3-phenyl-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297663
2-[(4-methoxyanilino)methyl]-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 11842406
(2R,7R)-2-(4-methoxyphenyl)-7-(2-methylbutan-2-yl)-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 7276273
2-[4-(dimethylamino)phenyl]-10-phenyl-2,3-dihydro-1H-azuleno[2,1-d]pyrimidin-4-one
CID 139234706
[4-[(2S,7S)-7-methyl-4-oxo-2,3,5,6,7,8-hexahydro-1H-[1]benzothiolo[2,3-d]pyrimidin-2-yl]phenyl] 4-methoxybenzoate
CID 26876467
5-fluoro-5-(4-fluorophenyl)-3-(4-methoxyphenyl)-7H-thieno[2,3-b]pyridine-4,6-dione
CID 67297330

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 7288086) is (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is COc1ccc([C@H]2NC(=O)c3c(-c4ccccc4)csc3N2)cc1.
What is the InChIKey of (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is GKUNFYCWCFZHKB-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H16N2O2S/c1-23-14-9-7-13(8-10-14)17-20-18(22)16-15(11-24-19(16)21-17)12-5-3-2-4-6-12/h2-11,17,21H,1H3,(H,20,22)/t17-/m0/s1.
What are the key properties of (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
(2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 336.42 g/mol, XLogP of 4.28, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7288086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).