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

C19H14N2O2S — CID 1082771

IUPAC3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1-n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C19H14N2O2S/c1-23-16-10-6-5-9-15(16)21-12-20-18-14(19(21)22)11-17(24-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyGFBUKFKZHZJOQX-UHFFFAOYSA-N
MW334.40 g/mol
LogP4.12
Rot. Bonds3

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

3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one (PubChem CID 1082771) has the molecular formula C19H14N2O2S and a molecular weight of 334.40 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
PubChem CID1082771
Molecular FormulaC19H14N2O2S
Molecular Weight334.40 g/mol
Exact Mass334.08
IUPAC Name3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccccc1-n1cnc2sc(-c3ccccc3)cc2c1=O
InChIInChI=1S/C19H14N2O2S/c1-23-16-10-6-5-9-15(16)21-12-20-18-14(19(21)22)11-17(24-18)13-7-3-2-4-8-13/h2-12H,1H3
InChIKeyGFBUKFKZHZJOQX-UHFFFAOYSA-N
XLogP4.12
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.40
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Necrostatin-5
CID 1913406
6-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135421655
4-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 9872238
4-[2-[4-(2-Methoxy-5-phenylphenyl)piperazin-1-yl]ethyl]-11-methyl-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 22464806
3-(3-methoxyphenyl)-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one
CID 899013
3-Amino-6-ethyl-2-{3-[4-(2-methoxy-phenyl)-piperazin-1-yl]-propylsulfanyl}-3H-thieno[2,3-d]pyrimidin-4-one
CID 10072920
N-(2-ethoxyphenyl)-N,3-dimethyl-4-oxo-6,7,8,9-tetrahydro-4H-pyrido[1,2-a]thieno[2,3-d]pyrimidine-2-carboxamide
CID 16017768
11-Methyl-4-[2-[4-(2-phenoxyphenyl)piperazin-1-yl]ethyl]-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
CID 44405574
3-[2-[4-(2-Methoxyphenyl)piperazin-1-yl]ethyl]-2-methyl-[1]benzothiolo[3,2-d]pyrimidin-4-one
CID 44420428
3-ethyl-N-(2-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxamide
CID 725312
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 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one (CID 1082771) is 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one is COc1ccccc1-n1cnc2sc(-c3ccccc3)cc2c1=O.
What is the InChIKey of 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
The InChIKey is GFBUKFKZHZJOQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O2S/c1-23-16-10-6-5-9-15(16)21-12-20-18-14(19(21)22)11-17(24-18)13-7-3-2-4-8-13/h2-12H,1H3.
What are the key properties of 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one?
3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one has a molecular weight of 334.40 g/mol, XLogP of 4.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-6-phenylthieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 1082771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).