6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine

C13H15N7S — CID 80833674

IUPAC6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccsc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H15N7S/c1-2-4-15-11-17-12(16-10-3-7-21-8-10)19-13(18-11)20-6-5-14-9-20/h3,5-9H,2,4H2,1H3,(H2,15,16,17,18,19)
InChIKeyUECWTWSALBJFBA-UHFFFAOYSA-N
MW301.38 g/mol
LogP2.68
Rot. Bonds6

About 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine

6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine (PubChem CID 80833674) has the molecular formula C13H15N7S and a molecular weight of 301.38 g/mol. Its IUPAC name is 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
PubChem CID80833674
Molecular FormulaC13H15N7S
Molecular Weight301.38 g/mol
Exact Mass301.11
IUPAC Name6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Nc2ccsc2)nc(-n2ccnc2)n1
InChIInChI=1S/C13H15N7S/c1-2-4-15-11-17-12(16-10-3-7-21-8-10)19-13(18-11)20-6-5-14-9-20/h3,5-9H,2,4H2,1H3,(H2,15,16,17,18,19)
InChIKeyUECWTWSALBJFBA-UHFFFAOYSA-N
XLogP2.68
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.38
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80813614
6-imidazol-1-yl-2-N-pentan-2-yl-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751147
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
CID 80773574
4-hydrazinyl-6-imidazol-1-yl-N-(thiophen-3-ylmethyl)-1,3,5-triazin-2-amine
CID 80914496
3-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80832648
2-[[4-imidazol-1-yl-6-(propylamino)-1,3,5-triazin-2-yl]amino]butan-1-ol
CID 80773571
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
N'-ethyl-N-(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)-N'-methylethane-1,2-diamine
CID 80919698
4-N-ethyl-6-imidazol-1-yl-2-N-(thiophen-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80770959
4-imidazol-1-yl-6-pent-4-enoxy-N-propyl-1,3,5-triazin-2-amine
CID 80870922
4-but-3-yn-2-yloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 106795382
4-cyclopentyloxy-6-imidazol-1-yl-N-propyl-1,3,5-triazin-2-amine
CID 80844574

Frequently Asked Questions

What is the IUPAC name of 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine (CID 80833674) is 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine is CCCNc1nc(Nc2ccsc2)nc(-n2ccnc2)n1.
What is the InChIKey of 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is UECWTWSALBJFBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7S/c1-2-4-15-11-17-12(16-10-3-7-21-8-10)19-13(18-11)20-6-5-14-9-20/h3,5-9H,2,4H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine?
6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 301.38 g/mol, XLogP of 2.68, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imidazol-1-yl-4-N-propyl-2-N-thiophen-3-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80833674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).