5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol

C17H18N2OS2 — CID 60613933

IUPAC5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
SMILESOCCCCCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N2OS2/c20-9-5-2-6-10-21-16-14-11-15(13-7-3-1-4-8-13)22-17(14)19-12-18-16/h1,3-4,7-8,11-12,20H,2,5-6,9-10H2
InChIKeyLWCUBBRJBFLOPA-UHFFFAOYSA-N
MW330.48 g/mol
LogP4.61
Rot. Bonds7

About 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol

5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol (PubChem CID 60613933) has the molecular formula C17H18N2OS2 and a molecular weight of 330.48 g/mol. Its IUPAC name is 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol.

Molecular Properties

Compound Name5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
PubChem CID60613933
Molecular FormulaC17H18N2OS2
Molecular Weight330.48 g/mol
Exact Mass330.09
IUPAC Name5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol
SMILESOCCCCCSc1ncnc2sc(-c3ccccc3)cc12
InChIInChI=1S/C17H18N2OS2/c20-9-5-2-6-10-21-16-14-11-15(13-7-3-1-4-8-13)22-17(14)19-12-18-16/h1,3-4,7-8,11-12,20H,2,5-6,9-10H2
InChIKeyLWCUBBRJBFLOPA-UHFFFAOYSA-N
XLogP4.61
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-ethylsulfanyl-6-phenylthieno[2,3-d]pyrimidine
CID 7674132
4-(2-ethoxyethylsulfanyl)-6-phenylthieno[2,3-d]pyrimidine
CID 112783394
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylethanethioamide
CID 39158958
6-phenyl-4-(1,3-thiazol-4-ylmethylsulfanyl)thieno[2,3-d]pyrimidine
CID 9437389
4-[(3-bromophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 28953931
4-[(3-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 16541507
6-phenylthieno[2,3-d]pyrimidine-4-thiolate
CID 7059157
4-(1,3-benzothiazol-2-ylmethylsulfanyl)-6-phenylthieno[2,3-d]pyrimidine
CID 7906124
2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-N-propylacetamide
CID 4809970
N-benzyl-N-methyl-2-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetamide
CID 2090541
4-[(2-chloro-6-fluorophenyl)methylsulfanyl]-6-phenylthieno[2,3-d]pyrimidine
CID 7674140
2-[6-(3-methylsulfanylphenyl)thieno[2,3-d]pyrimidin-4-yl]sulfanylacetic acid
CID 162676425

Frequently Asked Questions

What is the IUPAC name of 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
The IUPAC name of 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol (CID 60613933) is 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol.
What is the SMILES notation for 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
The canonical SMILES for 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol is OCCCCCSc1ncnc2sc(-c3ccccc3)cc12.
What is the InChIKey of 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
The InChIKey is LWCUBBRJBFLOPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2OS2/c20-9-5-2-6-10-21-16-14-11-15(13-7-3-1-4-8-13)22-17(14)19-12-18-16/h1,3-4,7-8,11-12,20H,2,5-6,9-10H2.
What are the key properties of 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol?
5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol has a molecular weight of 330.48 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylpentan-1-ol is sourced from PubChem (CID 60613933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).