3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one

C13H11N3O2S — CID 727642

IUPAC3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(N)c(=O)c23)cc1
InChIInChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-6-19-12-11(10)13(17)16(14)7-15-12/h2-7H,14H2,1H3
InChIKeyBKFZPRAFVOVXCD-UHFFFAOYSA-N
MW273.32 g/mol
LogP1.85
Rot. Bonds2

About 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one

3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 727642) has the molecular formula C13H11N3O2S and a molecular weight of 273.32 g/mol. Its IUPAC name is 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID727642
Molecular FormulaC13H11N3O2S
Molecular Weight273.32 g/mol
Exact Mass273.06
IUPAC Name3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESCOc1ccc(-c2csc3ncn(N)c(=O)c23)cc1
InChIInChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-6-19-12-11(10)13(17)16(14)7-15-12/h2-7H,14H2,1H3
InChIKeyBKFZPRAFVOVXCD-UHFFFAOYSA-N
XLogP1.85
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(4-methoxyphenyl)-3H,4H-thieno[2,3-d]pyrimidin-4-one
CID 727650
6-(4-methoxyphenyl)-3H,4H-thieno[3,2-d]pyrimidin-4-one
CID 135421655
3-Amino-2-{3-[4-(2-methoxy-phenyl)-piperidin-1-yl]-propylsulfanyl}-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 10504100
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-amino-5-(2-furyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 711166
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-one
CID 900061
[5-(4-Methoxy-phenyl)-4-oxo-4H-thieno[2,3-d]pyrimidin-3-yl]-acetic acid propyl ester
CID 1569092
3-benzyl-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4(3H)-one
CID 2077545
5-(4-Methoxyphenyl)-3-(2-morpholin-4-yl-2-oxoethyl)thieno[2,3-d]pyrimidin-4-one
CID 1078330
3-Ethyl-5-(4-methoxy-phenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 709185

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one (CID 727642) is 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one is COc1ccc(-c2csc3ncn(N)c(=O)c23)cc1.
What is the InChIKey of 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is BKFZPRAFVOVXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2S/c1-18-9-4-2-8(3-5-9)10-6-19-12-11(10)13(17)16(14)7-15-12/h2-7H,14H2,1H3.
What are the key properties of 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one?
3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 273.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-methoxyphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 727642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).