6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one

C7H9N3OS — CID 143852548

IUPAC6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
SMILESO=c1ncc2c([nH]1)CCN(S)C2
InChIInChI=1S/C7H9N3OS/c11-7-8-3-5-4-10(12)2-1-6(5)9-7/h3,12H,1-2,4H2,(H,8,9,11)
InChIKeyNPMRYARVXGJVRZ-UHFFFAOYSA-N
MW183.24 g/mol
LogP-0.03
Rot. Bonds

About 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one

6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one (PubChem CID 143852548) has the molecular formula C7H9N3OS and a molecular weight of 183.24 g/mol. Its IUPAC name is 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
PubChem CID143852548
Molecular FormulaC7H9N3OS
Molecular Weight183.24 g/mol
Exact Mass183.05
IUPAC Name6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one
SMILESO=c1ncc2c([nH]1)CCN(S)C2
InChIInChI=1S/C7H9N3OS/c11-7-8-3-5-4-10(12)2-1-6(5)9-7/h3,12H,1-2,4H2,(H,8,9,11)
InChIKeyNPMRYARVXGJVRZ-UHFFFAOYSA-N
XLogP-0.03
TPSA48.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.24
LogP ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one (CID 143852548) is 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one is O=c1ncc2c([nH]1)CCN(S)C2.
What is the InChIKey of 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
The InChIKey is NPMRYARVXGJVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9N3OS/c11-7-8-3-5-4-10(12)2-1-6(5)9-7/h3,12H,1-2,4H2,(H,8,9,11).
What are the key properties of 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one?
6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one has a molecular weight of 183.24 g/mol, XLogP of -0.03, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-sulfanyl-1,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 143852548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).