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

C13H10N2O2S — CID 82104586

IUPAC2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2nc3sccc3c(=O)[nH]2)c1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-3-8(7-9)11-14-12(16)10-5-6-18-13(10)15-11/h2-7H,1H3,(H,14,15,16)
InChIKeyNPMFILAWTPGRPL-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.66
Rot. Bonds2

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

2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 82104586) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID82104586
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one
SMILESCOc1cccc(-c2nc3sccc3c(=O)[nH]2)c1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-3-8(7-9)11-14-12(16)10-5-6-18-13(10)15-11/h2-7H,1H3,(H,14,15,16)
InChIKeyNPMFILAWTPGRPL-UHFFFAOYSA-N
XLogP2.66
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.30
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
4-chloro-2-(3-methoxyphenyl)thieno[2,3-d]pyrimidine
CID 62178883
2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 71068430
2-(3-methoxyphenyl)-6-methyl-1H-pyrimidine-4-thione
CID 106475731
2-[2-(3-methoxyphenyl)phenyl]-3H-quinazolin-4-one
CID 168551424
3-(3-methoxyphenyl)thieno[2,3-c][1,2]oxazole
CID 70149039
2-(3-methoxyphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62188855
3-(3-methoxyphenyl)-1,4-dihydro-1,2,4-triazol-5-one
CID 135421750
7-methoxy-2-(4-methoxyphenyl)-3H-quinazolin-4-one
CID 136593380
4-(3-methoxyphenyl)-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 139270583
2-(3-methoxyphenyl)-3H-benzimidazole-5-carbaldehyde
CID 84756453
[3-(4-oxo-3H-pyrido[4,3-d]pyrimidin-2-yl)phenyl] acetate
CID 135999577

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one (CID 82104586) is 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is COc1cccc(-c2nc3sccc3c(=O)[nH]2)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is NPMFILAWTPGRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-9-4-2-3-8(7-9)11-14-12(16)10-5-6-18-13(10)15-11/h2-7H,1H3,(H,14,15,16).
What are the key properties of 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one?
2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 258.30 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxyphenyl)-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 82104586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).