4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one

C16H14N2OS2 — CID 7503613

IUPAC4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one
SMILESCC(=O)CCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H14N2OS2/c1-11(19)7-8-20-15-13-9-14(12-5-3-2-4-6-12)21-16(13)18-10-17-15/h2-6,9-10H,7-8H2,1H3
InChIKeyRNFHIUQPKGRTKG-UHFFFAOYSA-N
MW314.44 g/mol
LogP4.43
Rot. Bonds5

About 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one

4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one (PubChem CID 7503613) has the molecular formula C16H14N2OS2 and a molecular weight of 314.44 g/mol. Its IUPAC name is 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one.

Molecular Properties

Compound Name4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one
PubChem CID7503613
Molecular FormulaC16H14N2OS2
Molecular Weight314.44 g/mol
Exact Mass314.05
IUPAC Name4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one
SMILESCC(=O)CCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C16H14N2OS2/c1-11(19)7-8-20-15-13-9-14(12-5-3-2-4-6-12)21-16(13)18-10-17-15/h2-6,9-10H,7-8H2,1H3
InChIKeyRNFHIUQPKGRTKG-UHFFFAOYSA-N
XLogP4.43
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.44
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-Benzyl-1-(thieno(2,3-d)pyrimidin-4-yl)piperidine
CID 2100018
1-methyl-5-({5-phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)-1H-1,2,3,4-tetrazole
CID 2432214
2-Phenylthieno(2,3-d)pyrimidin-4-amine
CID 62188326
4-Chloro-5-phenylthieno[2,3-d]pyrimidine
CID 708730
Ttp 22
CID 1536915
Methyl 2-(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate
CID 856427
N-benzylthieno[2,3-d]pyrimidin-4-amine
CID 2139597
4-[(4-Fluorobenzyl)sulfanyl]-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidine
CID 731474
2-({5-Phenylthieno[2,3-d]pyrimidin-4-yl}sulfanyl)acetic acid
CID 724891
2-((6-Phenylthieno(2,3-d)pyrimidin-4-yl)sulfanyl)acetic acid
CID 725214
4-Chloro-5-(4-methylphenyl)thieno(2,3-d)pyrimidine
CID 708732
4-Benzylsulfanylthieno[2,3-d]pyrimidine
CID 710987

Frequently Asked Questions

What is the IUPAC name of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one?
The IUPAC name of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one (CID 7503613) is 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one.
What is the SMILES notation for 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one?
The canonical SMILES for 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one is CC(=O)CCSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one?
The InChIKey is RNFHIUQPKGRTKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2OS2/c1-11(19)7-8-20-15-13-9-14(12-5-3-2-4-6-12)21-16(13)18-10-17-15/h2-6,9-10H,7-8H2,1H3.
What are the key properties of 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one?
4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one has a molecular weight of 314.44 g/mol, XLogP of 4.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylbutan-2-one is sourced from PubChem (CID 7503613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).