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

C18H13N3OS — CID 853231

IUPAC3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESNn1cnc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O
InChIInChI=1S/C18H13N3OS/c19-21-11-20-17-16(18(21)22)15(10-23-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,19H2
InChIKeyJMGQMYDFAYVXLK-UHFFFAOYSA-N
MW319.39 g/mol
LogP3.51
Rot. Bonds2

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

3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one (PubChem CID 853231) has the molecular formula C18H13N3OS and a molecular weight of 319.39 g/mol. Its IUPAC name is 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one
PubChem CID853231
Molecular FormulaC18H13N3OS
Molecular Weight319.39 g/mol
Exact Mass319.08
IUPAC Name3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one
SMILESNn1cnc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O
InChIInChI=1S/C18H13N3OS/c19-21-11-20-17-16(18(21)22)15(10-23-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,19H2
InChIKeyJMGQMYDFAYVXLK-UHFFFAOYSA-N
XLogP3.51
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetic acid
CID 731332
3-amino-5-(4-chloro-3-methylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 159705168
5-phenyl-3-propylthieno[2,3-d]pyrimidin-4-one
CID 731331
5-(4-methylphenyl)-3-(1-phenylethyl)thieno[2,3-d]pyrimidin-4-one
CID 17013524
ethyl (2S)-2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)butanoate
CID 731327
3-benzyl-5-(4-ethylphenyl)thieno[2,3-d]pyrimidin-4-one
CID 724930
3-[[(1S)-2,2-dichlorocyclopropyl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 9353564
5-(4-chlorophenyl)-3-methylthieno[2,3-d]pyrimidin-4-one
CID 732028
phenyl 2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)ethanesulfonate
CID 24526106
5-(4-benzylphenyl)-3-(2,5-dimethylpyrrol-1-yl)thieno[2,3-d]pyrimidin-4-one
CID 1045443
3-[(E)-naphthalen-2-ylmethylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42993564
3-[(E)-(1-methylpyrrol-2-yl)methylideneamino]-5-phenylthieno[2,3-d]pyrimidin-4-one
CID 42995008

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one (CID 853231) is 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one is Nn1cnc2scc(-c3ccc(-c4ccccc4)cc3)c2c1=O.
What is the InChIKey of 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one?
The InChIKey is JMGQMYDFAYVXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N3OS/c19-21-11-20-17-16(18(21)22)15(10-23-17)14-8-6-13(7-9-14)12-4-2-1-3-5-12/h1-11H,19H2.
What are the key properties of 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one?
3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one has a molecular weight of 319.39 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(4-phenylphenyl)thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 853231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).