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

C13H10N2O2S — CID 135421655

IUPAC6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc[nH]c(=O)c3s2)cc1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(16)15-7-14-10/h2-7H,1H3,(H,14,15,16)
InChIKeyYLBLDEDUUJNEOU-UHFFFAOYSA-N
MW258.30 g/mol
LogP2.66
Rot. Bonds2

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

6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 135421655) has the molecular formula C13H10N2O2S and a molecular weight of 258.30 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID135421655
Molecular FormulaC13H10N2O2S
Molecular Weight258.30 g/mol
Exact Mass258.05
IUPAC Name6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one
SMILESCOc1ccc(-c2cc3nc[nH]c(=O)c3s2)cc1
InChIInChI=1S/C13H10N2O2S/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(16)15-7-14-10/h2-7H,1H3,(H,14,15,16)
InChIKeyYLBLDEDUUJNEOU-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

5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727650
2-(4-methoxyphenyl)-6,7,8,9-tetrahydrothieno[3',2':4,5]pyrimido[1,2-a]azepin-11(5H)-one
CID 951414
3-Amino-5-(4-methoxyphenyl)thiophene-2-carboxamide
CID 4278270
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
5-(3,4-Dimethoxyphenyl)thieno[2,3-d]pyrimidin-4(1H)-one
CID 733738
3-amino-6-(4-methoxyphenyl)-2-methylthieno[3,2-d]pyrimidin-4(3H)-one
CID 900061
3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 2077545
2-(chloromethyl)-6-(4-methoxyphenyl)thieno[3,2-d]pyrimidin-4(1H)-one
CID 135417169
3-[(Aminocarbonyl)amino]-5-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 9943895
3-[(Aminocarbonyl)amino]-5-(3-methoxyphenyl)-2-thiophenecarboxamide
CID 9965828
3-(4-Methoxyphenyl)-7-phenylthieno[3,2-d]pyrimidin-4(3H)-one
CID 78320170

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one (CID 135421655) is 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is COc1ccc(-c2cc3nc[nH]c(=O)c3s2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is YLBLDEDUUJNEOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2O2S/c1-17-9-4-2-8(3-5-9)11-6-10-12(18-11)13(16)15-7-14-10/h2-7H,1H3,(H,14,15,16).
What are the key properties of 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one?
6-(4-methoxyphenyl)-3H-thieno[3,2-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 6-(4-methoxyphenyl)-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135421655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).