6H-pyrido[2,3-d]pyrimidine-7-thione

C7H5N3S — CID 150812210

IUPAC6H-pyrido[2,3-d]pyrimidine-7-thione
SMILESS=C1CC=c2cncnc2=N1
InChIInChI=1S/C7H5N3S/c11-6-2-1-5-3-8-4-9-7(5)10-6/h1,3-4H,2H2
InChIKeyKIDAAWXQOJRGIA-UHFFFAOYSA-N
MW163.20 g/mol
LogP-0.39
Rot. Bonds

About 6H-pyrido[2,3-d]pyrimidine-7-thione

6H-pyrido[2,3-d]pyrimidine-7-thione (PubChem CID 150812210) has the molecular formula C7H5N3S and a molecular weight of 163.20 g/mol. Its IUPAC name is 6H-pyrido[2,3-d]pyrimidine-7-thione.

Molecular Properties

Compound Name6H-pyrido[2,3-d]pyrimidine-7-thione
PubChem CID150812210
Molecular FormulaC7H5N3S
Molecular Weight163.20 g/mol
Exact Mass163.02
IUPAC Name6H-pyrido[2,3-d]pyrimidine-7-thione
SMILESS=C1CC=c2cncnc2=N1
InChIInChI=1S/C7H5N3S/c11-6-2-1-5-3-8-4-9-7(5)10-6/h1,3-4H,2H2
InChIKeyKIDAAWXQOJRGIA-UHFFFAOYSA-N
XLogP-0.39
TPSA38.14 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.20
LogP ≤ 5-0.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6H-pyrido[2,3-d]pyrimidine-7-thione?
The IUPAC name of 6H-pyrido[2,3-d]pyrimidine-7-thione (CID 150812210) is 6H-pyrido[2,3-d]pyrimidine-7-thione.
What is the SMILES notation for 6H-pyrido[2,3-d]pyrimidine-7-thione?
The canonical SMILES for 6H-pyrido[2,3-d]pyrimidine-7-thione is S=C1CC=c2cncnc2=N1.
What is the InChIKey of 6H-pyrido[2,3-d]pyrimidine-7-thione?
The InChIKey is KIDAAWXQOJRGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3S/c11-6-2-1-5-3-8-4-9-7(5)10-6/h1,3-4H,2H2.
What are the key properties of 6H-pyrido[2,3-d]pyrimidine-7-thione?
6H-pyrido[2,3-d]pyrimidine-7-thione has a molecular weight of 163.20 g/mol, XLogP of -0.39, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-pyrido[2,3-d]pyrimidine-7-thione is sourced from PubChem (CID 150812210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).