8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine

C15H14N6S — CID 153242990

IUPAC8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
SMILESCSC1N=CC=C(c2c3cccnc3n3c(N)nccc23)N1
InChIInChI=1S/C15H14N6S/c1-22-15-19-7-4-10(20-15)12-9-3-2-6-17-13(9)21-11(12)5-8-18-14(21)16/h2-8,15,20H,1H3,(H2,16,18)
InChIKeyWRUUTPAOJXOZEG-UHFFFAOYSA-N
MW310.39 g/mol
LogP2.13
Rot. Bonds2

About 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine

8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine (PubChem CID 153242990) has the molecular formula C15H14N6S and a molecular weight of 310.39 g/mol. Its IUPAC name is 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine.

Molecular Properties

Compound Name8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
PubChem CID153242990
Molecular FormulaC15H14N6S
Molecular Weight310.39 g/mol
Exact Mass310.10
IUPAC Name8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine
SMILESCSC1N=CC=C(c2c3cccnc3n3c(N)nccc23)N1
InChIInChI=1S/C15H14N6S/c1-22-15-19-7-4-10(20-15)12-9-3-2-6-17-13(9)21-11(12)5-8-18-14(21)16/h2-8,15,20H,1H3,(H2,16,18)
InChIKeyWRUUTPAOJXOZEG-UHFFFAOYSA-N
XLogP2.13
TPSA80.60 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.39
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-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 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
The IUPAC name of 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine (CID 153242990) is 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine.
What is the SMILES notation for 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
The canonical SMILES for 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine is CSC1N=CC=C(c2c3cccnc3n3c(N)nccc23)N1.
What is the InChIKey of 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
The InChIKey is WRUUTPAOJXOZEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N6S/c1-22-15-19-7-4-10(20-15)12-9-3-2-6-17-13(9)21-11(12)5-8-18-14(21)16/h2-8,15,20H,1H3,(H2,16,18).
What are the key properties of 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine?
8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine has a molecular weight of 310.39 g/mol, XLogP of 2.13, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(2-methylsulfanyl-1,2-dihydropyrimidin-6-yl)-1,3,12-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5,8,10,12-hexaen-13-amine is sourced from PubChem (CID 153242990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).