4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine

C13H20N6S — CID 80893406

IUPAC4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(SCC(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C13H20N6S/c1-4-5-15-11-16-12(19-7-6-14-9-19)18-13(17-11)20-8-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16,17,18)
InChIKeyGGZQYHQZBMLERX-UHFFFAOYSA-N
MW292.41 g/mol
LogP2.63
Rot. Bonds7

About 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine (PubChem CID 80893406) has the molecular formula C13H20N6S and a molecular weight of 292.41 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
PubChem CID80893406
Molecular FormulaC13H20N6S
Molecular Weight292.41 g/mol
Exact Mass292.15
IUPAC Name4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
SMILESCCCNc1nc(SCC(C)C)nc(-n2ccnc2)n1
InChIInChI=1S/C13H20N6S/c1-4-5-15-11-16-12(19-7-6-14-9-19)18-13(17-11)20-8-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16,17,18)
InChIKeyGGZQYHQZBMLERX-UHFFFAOYSA-N
XLogP2.63
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-methylpropylsulfanyl)-N-propyl-6-pyrazol-1-yl-1,3,5-triazin-2-amine
CID 80892924
4-cyclopentylsulfanyl-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80887756
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80832648
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890922
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
N-ethyl-4-imidazol-1-yl-6-(3-methoxypropylsulfanyl)-1,3,5-triazin-2-amine
CID 80890058
4-(2-methylbutylsulfanyl)-N-propyl-6-(1,2,4-triazol-1-yl)-1,3,5-triazin-2-amine
CID 107765721
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine (CID 80893406) is 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine is CCCNc1nc(SCC(C)C)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
The InChIKey is GGZQYHQZBMLERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6S/c1-4-5-15-11-16-12(19-7-6-14-9-19)18-13(17-11)20-8-10(2)3/h6-7,9-10H,4-5,8H2,1-3H3,(H,15,16,17,18).
What are the key properties of 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine has a molecular weight of 292.41 g/mol, XLogP of 2.63, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80893406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).