4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one

C11H10IN3OS — CID 136993973

IUPAC4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCc3sccc3C2)c1I
InChIInChI=1S/C11H10IN3OS/c12-9-10(13-6-14-11(9)16)15-3-1-8-7(5-15)2-4-17-8/h2,4,6H,1,3,5H2,(H,13,14,16)
InChIKeyZEDJWMGDOPEPCJ-UHFFFAOYSA-N
MW359.19 g/mol
LogP2.00
Rot. Bonds1

About 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one

4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one (PubChem CID 136993973) has the molecular formula C11H10IN3OS and a molecular weight of 359.19 g/mol. Its IUPAC name is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one
PubChem CID136993973
Molecular FormulaC11H10IN3OS
Molecular Weight359.19 g/mol
Exact Mass358.96
IUPAC Name4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCc3sccc3C2)c1I
InChIInChI=1S/C11H10IN3OS/c12-9-10(13-6-14-11(9)16)15-3-1-8-7(5-15)2-4-17-8/h2,4,6H,1,3,5H2,(H,13,14,16)
InChIKeyZEDJWMGDOPEPCJ-UHFFFAOYSA-N
XLogP2.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.19
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one with MolForge

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Related Compounds

5-iodo-4-piperazin-1-yl-1H-pyrimidin-6-one
CID 136957743
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)thieno[3,2-d]pyrimidine
CID 24607532
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-N-methyl-7H-purin-2-amine
CID 114783590
5-iodo-4-(1-oxo-1,4-thiazinan-4-yl)-1H-pyrimidin-6-one
CID 136994013
5-(6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepin-4-yl)-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 56886463
4-[4-(3-amino-4-pyridinyl)piperazin-1-yl]-5-iodo-1H-pyrimidin-6-one
CID 136979391
4-(3-hydroxypyrrolidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957758
4-(4-cyclopentylpiperazin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136954302
4-(4-tert-butylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957733
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)quinazolin-6-amine
CID 64586865
[4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-2-pyridinyl]methanamine
CID 62299813
4-(3,3-dimethylpiperidin-1-yl)-5-iodo-1H-pyrimidin-6-one
CID 136957881

Frequently Asked Questions

What is the IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one?
The IUPAC name of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one (CID 136993973) is 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one?
The canonical SMILES for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCc3sccc3C2)c1I.
What is the InChIKey of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one?
The InChIKey is ZEDJWMGDOPEPCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10IN3OS/c12-9-10(13-6-14-11(9)16)15-3-1-8-7(5-15)2-4-17-8/h2,4,6H,1,3,5H2,(H,13,14,16).
What are the key properties of 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one?
4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one has a molecular weight of 359.19 g/mol, XLogP of 2.00, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-iodo-1H-pyrimidin-6-one is sourced from PubChem (CID 136993973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).