2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine

C13H16N4S2 — CID 80882787

IUPAC2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccccn2)nc(SC)n1
InChIInChI=1S/C13H16N4S2/c1-3-7-14-10-9-12(17-13(16-10)18-2)19-11-6-4-5-8-15-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyPGGGVIRRCKWENT-UHFFFAOYSA-N
MW292.43 g/mol
LogP3.57
Rot. Bonds6

About 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine

2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine (PubChem CID 80882787) has the molecular formula C13H16N4S2 and a molecular weight of 292.43 g/mol. Its IUPAC name is 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
PubChem CID80882787
Molecular FormulaC13H16N4S2
Molecular Weight292.43 g/mol
Exact Mass292.08
IUPAC Name2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2ccccn2)nc(SC)n1
InChIInChI=1S/C13H16N4S2/c1-3-7-14-10-9-12(17-13(16-10)18-2)19-11-6-4-5-8-15-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,16,17)
InChIKeyPGGGVIRRCKWENT-UHFFFAOYSA-N
XLogP3.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
The IUPAC name of 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine (CID 80882787) is 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine.
What is the SMILES notation for 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
The canonical SMILES for 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine is CCCNc1cc(Sc2ccccn2)nc(SC)n1.
What is the InChIKey of 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
The InChIKey is PGGGVIRRCKWENT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4S2/c1-3-7-14-10-9-12(17-13(16-10)18-2)19-11-6-4-5-8-15-11/h4-6,8-9H,3,7H2,1-2H3,(H,14,16,17).
What are the key properties of 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine?
2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine has a molecular weight of 292.43 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-propyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine is sourced from PubChem (CID 80882787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).