4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

C24H15ClN4OS2 — CID 161450976

IUPAC4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESClc1ncnc2scc(-c3ccccc3)c12.O=c1[nH]cnc2scc(-c3ccccc3)c12
InChIInChI=1S/C12H7ClN2S.C12H8N2OS/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11;15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H;1-7H,(H,13,14,15)
InChIKeyWANHTLXYTVQNFM-UHFFFAOYSA-N
MW475.00 g/mol
LogP6.66
Rot. Bonds2

About 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one

4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 161450976) has the molecular formula C24H15ClN4OS2 and a molecular weight of 475.00 g/mol. Its IUPAC name is 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID161450976
Molecular FormulaC24H15ClN4OS2
Molecular Weight475.00 g/mol
Exact Mass474.04
IUPAC Name4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESClc1ncnc2scc(-c3ccccc3)c12.O=c1[nH]cnc2scc(-c3ccccc3)c12
InChIInChI=1S/C12H7ClN2S.C12H8N2OS/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11;15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H;1-7H,(H,13,14,15)
InChIKeyWANHTLXYTVQNFM-UHFFFAOYSA-N
XLogP6.66
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.00
LogP ≤ 56.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-5-phenylthieno[2,3-d]pyrimidine;ethane
CID 144926094
5-(4-fluorophenyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 727600
5-(4-phenylphenyl)-3H-thieno[2,3-d]pyrimidine-4-thione
CID 39146845
[4-(4-oxo-3H-thieno[2,3-d]pyrimidin-5-yl)phenyl]boronic acid
CID 167730220
4-iodo-5-phenylthieno[2,3-d]pyrimidine
CID 147258357
4-methyl-5-phenylthieno[2,3-d]pyrimidine
CID 118145924
5-(5-methylthiophen-2-yl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 4963645
5-(5-methyl-2-pyridinyl)-3H-thieno[2,3-d]pyrimidin-4-one
CID 67382174
2-(2-chlorophenyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 28868492
2-(dichloromethyl)-5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one
CID 852970
3-(1H-imidazol-5-yl)-2-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]propanoic acid
CID 82022252
5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one (CID 161450976) is 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is Clc1ncnc2scc(-c3ccccc3)c12.O=c1[nH]cnc2scc(-c3ccccc3)c12.
What is the InChIKey of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is WANHTLXYTVQNFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2S.C12H8N2OS/c13-11-10-9(8-4-2-1-3-5-8)6-16-12(10)15-7-14-11;15-11-10-9(8-4-2-1-3-5-8)6-16-12(10)14-7-13-11/h1-7H;1-7H,(H,13,14,15).
What are the key properties of 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one?
4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 475.00 g/mol, XLogP of 6.66, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-phenylthieno[2,3-d]pyrimidine;5-phenyl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 161450976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).