3-phenylpyrido[1,2-c]pyrimidine-1-thione

C14H10N2S — CID 44604680

IUPAC3-phenylpyrido[1,2-c]pyrimidine-1-thione
SMILESS=c1nc(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C14H10N2S/c17-14-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-16(12)14/h1-10H
InChIKeyKBQZTBBHHLEEJY-UHFFFAOYSA-N
MW238.32 g/mol
LogP3.73
Rot. Bonds1

About 3-phenylpyrido[1,2-c]pyrimidine-1-thione

3-phenylpyrido[1,2-c]pyrimidine-1-thione (PubChem CID 44604680) has the molecular formula C14H10N2S and a molecular weight of 238.32 g/mol. Its IUPAC name is 3-phenylpyrido[1,2-c]pyrimidine-1-thione.

Molecular Properties

Compound Name3-phenylpyrido[1,2-c]pyrimidine-1-thione
PubChem CID44604680
Molecular FormulaC14H10N2S
Molecular Weight238.32 g/mol
Exact Mass238.06
IUPAC Name3-phenylpyrido[1,2-c]pyrimidine-1-thione
SMILESS=c1nc(-c2ccccc2)cc2ccccn12
InChIInChI=1S/C14H10N2S/c17-14-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-16(12)14/h1-10H
InChIKeyKBQZTBBHHLEEJY-UHFFFAOYSA-N
XLogP3.73
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.32
LogP ≤ 53.73
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 3-phenylpyrido[1,2-c]pyrimidine-1-thione?
The IUPAC name of 3-phenylpyrido[1,2-c]pyrimidine-1-thione (CID 44604680) is 3-phenylpyrido[1,2-c]pyrimidine-1-thione.
What is the SMILES notation for 3-phenylpyrido[1,2-c]pyrimidine-1-thione?
The canonical SMILES for 3-phenylpyrido[1,2-c]pyrimidine-1-thione is S=c1nc(-c2ccccc2)cc2ccccn12.
What is the InChIKey of 3-phenylpyrido[1,2-c]pyrimidine-1-thione?
The InChIKey is KBQZTBBHHLEEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2S/c17-14-15-13(11-6-2-1-3-7-11)10-12-8-4-5-9-16(12)14/h1-10H.
What are the key properties of 3-phenylpyrido[1,2-c]pyrimidine-1-thione?
3-phenylpyrido[1,2-c]pyrimidine-1-thione has a molecular weight of 238.32 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenylpyrido[1,2-c]pyrimidine-1-thione is sourced from PubChem (CID 44604680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).