4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one

C21H17N5OS — CID 2504318

IUPAC4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CCN1
InChIInChI=1S/C21H17N5OS/c27-17-12-26(10-9-23-17)20-18-16(14-5-2-1-3-6-14)13-28-21(18)25-19(24-20)15-7-4-8-22-11-15/h1-8,11,13H,9-10,12H2,(H,23,27)
InChIKeyQEOHOXGQVDBSTI-UHFFFAOYSA-N
MW387.47 g/mol
LogP3.36
Rot. Bonds3

About 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one

4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one (PubChem CID 2504318) has the molecular formula C21H17N5OS and a molecular weight of 387.47 g/mol. Its IUPAC name is 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one.

Molecular Properties

Compound Name4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
PubChem CID2504318
Molecular FormulaC21H17N5OS
Molecular Weight387.47 g/mol
Exact Mass387.12
IUPAC Name4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one
SMILESO=C1CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CCN1
InChIInChI=1S/C21H17N5OS/c27-17-12-26(10-9-23-17)20-18-16(14-5-2-1-3-6-14)13-28-21(18)25-19(24-20)15-7-4-8-22-11-15/h1-8,11,13H,9-10,12H2,(H,23,27)
InChIKeyQEOHOXGQVDBSTI-UHFFFAOYSA-N
XLogP3.36
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Urea, N-[4-(4-aminothieno[2,3-d]pyrimidin-5-yl)phenyl]-N'-butyl-
CID 6539986
Thienopyrimidine deriv. 60
CID 6540010
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016
(2s)-3-Phenyl-N~1~-[2-(Pyridin-4-Yl)-5,6,7,8-Tetrahydro[1]benzothieno[2,3-D]pyrimidin-4-Yl]propane-1,2-Diamine
CID 70702288
1-(4-(4-Amino-7-(pyrimidin-5-yl)thieno[3,2-c]pyridin-3-yl)phenyl)-3-m-tolylurea
CID 11430894
3-amino-N-[3-(4-aminopiperidin-1-yl)-2-pyridinyl]-6-thieno[2,3-d]pyrimidin-4-ylpyrazine-2-carboxamide
CID 118875852
N-(pyridin-3-ylmethyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4-amine
CID 941960
N-Methyl-2-{[5-phenyl-2-(pyridin-2-YL)thieno[2,3-D]pyrimidin-4-YL]amino}acetamide
CID 17404784
2-[4-(7-Methyl-2-pyridin-3-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]-2-phenylacetamide
CID 16618023
4-(4-Methylpiperazin-1-yl)-5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidine
CID 2100253
5,6-Dimethyl-4-(4-(pyrimidin-2-yl)piperazin-1-yl)thieno[2,3-d]pyrimidine
CID 711090

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The IUPAC name of 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one (CID 2504318) is 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one.
What is the SMILES notation for 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The canonical SMILES for 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one is O=C1CN(c2nc(-c3cccnc3)nc3scc(-c4ccccc4)c23)CCN1.
What is the InChIKey of 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
The InChIKey is QEOHOXGQVDBSTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5OS/c27-17-12-26(10-9-23-17)20-18-16(14-5-2-1-3-6-14)13-28-21(18)25-19(24-20)15-7-4-8-22-11-15/h1-8,11,13H,9-10,12H2,(H,23,27).
What are the key properties of 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one?
4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one has a molecular weight of 387.47 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)piperazin-2-one is sourced from PubChem (CID 2504318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).