7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

C20H16N2O3S — CID 78322063

IUPAC7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4OC)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O3S/c1-24-14-9-7-13(8-10-14)22-12-21-18-16(11-26-19(18)20(22)23)15-5-3-4-6-17(15)25-2/h3-12H,1-2H3
InChIKeyOJEGVCLQWSCVRF-UHFFFAOYSA-N
MW364.43 g/mol
LogP4.13
Rot. Bonds4

About 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one

7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (PubChem CID 78322063) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
PubChem CID78322063
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-n2cnc3c(-c4ccccc4OC)csc3c2=O)cc1
InChIInChI=1S/C20H16N2O3S/c1-24-14-9-7-13(8-10-14)22-12-21-18-16(11-26-19(18)20(22)23)15-5-3-4-6-17(15)25-2/h3-12H,1-2H3
InChIKeyOJEGVCLQWSCVRF-UHFFFAOYSA-N
XLogP4.13
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Necrostatin-5
CID 1913406
6-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135421655
N-[(3-methoxyphenyl)methyl]-4-oxo-5-[(2-phenylacetyl)amino]-3H-thieno[2,3-d]pyrimidine-2-carboxamide
CID 59652324
2-Hydrazinyl-3-(4-methoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 746518
3-(3-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 899013
2-(4-methoxyphenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 951414
{[3-(4-Ethoxyphenyl)-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl]sulfanyl}acetic acid
CID 1234022
5-(4-Methoxy-phenyl)-3-propyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 709188
3-Allyl-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 709192
3-(4-Ethoxyphenyl)-2-thiophen-2-ylquinazolin-4-one
CID 724262
3-(4-Ethoxyphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
CID 916362
5-(4-Ethoxyphenyl)-3-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
CID 1082736

Frequently Asked Questions

What is the IUPAC name of 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one (CID 78322063) is 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is COc1ccc(-n2cnc3c(-c4ccccc4OC)csc3c2=O)cc1.
What is the InChIKey of 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
The InChIKey is OJEGVCLQWSCVRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c1-24-14-9-7-13(8-10-14)22-12-21-18-16(11-26-19(18)20(22)23)15-5-3-4-6-17(15)25-2/h3-12H,1-2H3.
What are the key properties of 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one?
7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one has a molecular weight of 364.43 g/mol, XLogP of 4.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methoxyphenyl)-3-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 78322063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).