4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine

C9H12N6S — CID 80886477

IUPAC4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCC(C)Sc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C9H12N6S/c1-6(2)16-9-13-7(10)12-8(14-9)15-4-3-11-5-15/h3-6H,1-2H3,(H2,10,12,13,14)
InChIKeyXTMVFYNQTSIHDH-UHFFFAOYSA-N
MW236.30 g/mol
LogP1.14
Rot. Bonds3

About 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine

4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine (PubChem CID 80886477) has the molecular formula C9H12N6S and a molecular weight of 236.30 g/mol. Its IUPAC name is 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
PubChem CID80886477
Molecular FormulaC9H12N6S
Molecular Weight236.30 g/mol
Exact Mass236.08
IUPAC Name4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine
SMILESCC(C)Sc1nc(N)nc(-n2ccnc2)n1
InChIInChI=1S/C9H12N6S/c1-6(2)16-9-13-7(10)12-8(14-9)15-4-3-11-5-15/h3-6H,1-2H3,(H2,10,12,13,14)
InChIKeyXTMVFYNQTSIHDH-UHFFFAOYSA-N
XLogP1.14
TPSA82.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-butan-2-ylsulfanyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80887918
4-imidazol-1-yl-6-(3-methylphenyl)sulfanyl-1,3,5-triazin-2-amine
CID 80886142
4-imidazol-1-yl-6-(3-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 80883414
2-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 104830624
4-N-(3,3-dimethylbutan-2-yl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80815490
6-imidazol-1-yl-4-N-(2-methylpropyl)-4-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80820982
2-[(4-amino-6-imidazol-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 80810035
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
4-N-ethyl-4-N-(2-ethylbutyl)-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80779658
6-imidazol-1-yl-4-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80764046
4-imidazol-1-yl-6-(oxolan-2-ylmethylsulfanyl)-1,3,5-triazin-2-amine
CID 106497760
2-N-[1-(diethylamino)propan-2-yl]-6-imidazol-1-yl-1,3,5-triazine-2,4-diamine
CID 80795295

Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine (CID 80886477) is 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine is CC(C)Sc1nc(N)nc(-n2ccnc2)n1.
What is the InChIKey of 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine?
The InChIKey is XTMVFYNQTSIHDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N6S/c1-6(2)16-9-13-7(10)12-8(14-9)15-4-3-11-5-15/h3-6H,1-2H3,(H2,10,12,13,14).
What are the key properties of 4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine?
4-imidazol-1-yl-6-propan-2-ylsulfanyl-1,3,5-triazin-2-amine has a molecular weight of 236.30 g/mol, XLogP of 1.14, 3 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-propan-2-ylsulfanyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80886477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).