5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one

C19H19N3O4S — CID 1078330

IUPAC5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1
InChIInChI=1S/C19H19N3O4S/c1-25-14-4-2-13(3-5-14)15-11-27-18-17(15)19(24)22(12-20-18)10-16(23)21-6-8-26-9-7-21/h2-5,11-12H,6-10H2,1H3
InChIKeyVGDAZYOJIPHBLQ-UHFFFAOYSA-N
MW385.45 g/mol
LogP1.99
Rot. Bonds4

About 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one

5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 1078330) has the molecular formula C19H19N3O4S and a molecular weight of 385.45 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID1078330
Molecular FormulaC19H19N3O4S
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1
InChIInChI=1S/C19H19N3O4S/c1-25-14-4-2-13(3-5-14)15-11-27-18-17(15)19(24)22(12-20-18)10-16(23)21-6-8-26-9-7-21/h2-5,11-12H,6-10H2,1H3
InChIKeyVGDAZYOJIPHBLQ-UHFFFAOYSA-N
XLogP1.99
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one (CID 1078330) is 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3ncn(CC(=O)N4CCOCC4)c(=O)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is VGDAZYOJIPHBLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4S/c1-25-14-4-2-13(3-5-14)15-11-27-18-17(15)19(24)22(12-20-18)10-16(23)21-6-8-26-9-7-21/h2-5,11-12H,6-10H2,1H3.
What are the key properties of 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one?
5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 385.45 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1078330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).