2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine

C10H9N3OS — CID 69178304

IUPAC2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine
SMILESC=CCS(=O)c1ncc2ncccc2n1
InChIInChI=1S/C10H9N3OS/c1-2-6-15(14)10-12-7-9-8(13-10)4-3-5-11-9/h2-5,7H,1,6H2
InChIKeyFHRRTGNPCAUHAH-UHFFFAOYSA-N
MW219.27 g/mol
LogP1.32
Rot. Bonds3

About 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine

2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine (PubChem CID 69178304) has the molecular formula C10H9N3OS and a molecular weight of 219.27 g/mol. Its IUPAC name is 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine.

Molecular Properties

Compound Name2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine
PubChem CID69178304
Molecular FormulaC10H9N3OS
Molecular Weight219.27 g/mol
Exact Mass219.05
IUPAC Name2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine
SMILESC=CCS(=O)c1ncc2ncccc2n1
InChIInChI=1S/C10H9N3OS/c1-2-6-15(14)10-12-7-9-8(13-10)4-3-5-11-9/h2-5,7H,1,6H2
InChIKeyFHRRTGNPCAUHAH-UHFFFAOYSA-N
XLogP1.32
TPSA55.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.27
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine?
The IUPAC name of 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine (CID 69178304) is 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine.
What is the SMILES notation for 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine?
The canonical SMILES for 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine is C=CCS(=O)c1ncc2ncccc2n1.
What is the InChIKey of 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine?
The InChIKey is FHRRTGNPCAUHAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3OS/c1-2-6-15(14)10-12-7-9-8(13-10)4-3-5-11-9/h2-5,7H,1,6H2.
What are the key properties of 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine?
2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine has a molecular weight of 219.27 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-prop-2-enylsulfinylpyrido[3,2-d]pyrimidine is sourced from PubChem (CID 69178304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).