6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

C21H18N2O3S — CID 102232676

IUPAC6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(Cn2cnc3cc(-c4cccc(OC)c4)sc3c2=O)c1
InChIInChI=1S/C21H18N2O3S/c1-25-16-7-3-5-14(9-16)12-23-13-22-18-11-19(27-20(18)21(23)24)15-6-4-8-17(10-15)26-2/h3-11,13H,12H2,1-2H3
InChIKeyFZBDPNJNZAZHOW-UHFFFAOYSA-N
MW378.45 g/mol
LogP4.19
Rot. Bonds5

About 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one

6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (PubChem CID 102232676) has the molecular formula C21H18N2O3S and a molecular weight of 378.45 g/mol. Its IUPAC name is 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
PubChem CID102232676
Molecular FormulaC21H18N2O3S
Molecular Weight378.45 g/mol
Exact Mass378.10
IUPAC Name6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one
SMILESCOc1cccc(Cn2cnc3cc(-c4cccc(OC)c4)sc3c2=O)c1
InChIInChI=1S/C21H18N2O3S/c1-25-16-7-3-5-14(9-16)12-23-13-22-18-11-19(27-20(18)21(23)24)15-6-4-8-17(10-15)26-2/h3-11,13H,12H2,1-2H3
InChIKeyFZBDPNJNZAZHOW-UHFFFAOYSA-N
XLogP4.19
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-phenoxyethyl)-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 51111918
6-(4-chlorophenyl)-3-[[3-(1-propan-2-ylpiperidin-4-yl)oxyphenyl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 24786073
3-(3-hydroxypropyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 110892016
3-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 55602752
4-[3-[[6-(4-chlorophenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]methyl]phenoxy]piperidine-1-carboxylic acid
CID 68712260
6-(4-methoxyphenyl)-3-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]thieno[3,2-d]pyrimidin-4-one
CID 56520825
3-[(4-methoxyphenyl)methyl]-6-phenylthieno[2,3-d]pyrimidin-4-one
CID 16577259
6-(4-methoxyphenyl)-3-[[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl]thieno[3,2-d]pyrimidin-4-one
CID 55424324
4-chloro-6-(3-methoxyphenyl)thieno[3,2-d]pyrimidine
CID 43332773
2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 7636682
pyridin-2-ylmethyl 2-[6-(4-methoxyphenyl)-4-oxothieno[3,2-d]pyrimidin-3-yl]acetate
CID 55414172
3-[(2R)-2-hydroxybutyl]-6-phenylthieno[3,2-d]pyrimidin-4-one
CID 39826529

Frequently Asked Questions

What is the IUPAC name of 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one (CID 102232676) is 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is COc1cccc(Cn2cnc3cc(-c4cccc(OC)c4)sc3c2=O)c1.
What is the InChIKey of 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
The InChIKey is FZBDPNJNZAZHOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S/c1-25-16-7-3-5-14(9-16)12-23-13-22-18-11-19(27-20(18)21(23)24)15-6-4-8-17(10-15)26-2/h3-11,13H,12H2,1-2H3.
What are the key properties of 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one?
6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one has a molecular weight of 378.45 g/mol, XLogP of 4.19, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methyl]thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 102232676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).