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

C19H16N2O3S — CID 7288093

IUPAC(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cc([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)ccc1O
InChIInChI=1S/C19H16N2O3S/c1-24-15-9-12(7-8-14(15)22)17-20-18(23)16-13(10-25-19(16)21-17)11-5-3-2-4-6-11/h2-10,17,21-22H,1H3,(H,20,23)/t17-/m1/s1
InChIKeyRIBRLTFEZDUDCE-QGZVFWFLSA-N
MW352.42 g/mol
LogP3.98
Rot. Bonds3

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

(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 7288093) has the molecular formula C19H16N2O3S and a molecular weight of 352.42 g/mol. Its IUPAC name is (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
PubChem CID7288093
Molecular FormulaC19H16N2O3S
Molecular Weight352.42 g/mol
Exact Mass352.09
IUPAC Name(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cc([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)ccc1O
InChIInChI=1S/C19H16N2O3S/c1-24-15-9-12(7-8-14(15)22)17-20-18(23)16-13(10-25-19(16)21-17)11-5-3-2-4-6-11/h2-10,17,21-22H,1H3,(H,20,23)/t17-/m1/s1
InChIKeyRIBRLTFEZDUDCE-QGZVFWFLSA-N
XLogP3.98
TPSA70.59 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 53.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one (CID 7288093) is (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is COc1cc([C@@H]2NC(=O)c3c(-c4ccccc4)csc3N2)ccc1O.
What is the InChIKey of (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is RIBRLTFEZDUDCE-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H16N2O3S/c1-24-15-9-12(7-8-14(15)22)17-20-18(23)16-13(10-25-19(16)21-17)11-5-3-2-4-6-11/h2-10,17,21-22H,1H3,(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one?
(2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 352.42 g/mol, XLogP of 3.98, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-hydroxy-3-methoxyphenyl)-5-phenyl-2,3-dihydro-1H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 7288093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).