4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine

C11H16N6S — CID 80887416

IUPAC4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCCC(C)Sc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6S/c1-4-8(2)18-11-15-9(12-3)14-10(16-11)17-6-5-13-7-17/h5-8H,4H2,1-3H3,(H,12,14,15,16)
InChIKeyFWBRJWQTEWDPOP-UHFFFAOYSA-N
MW264.36 g/mol
LogP1.99
Rot. Bonds5

About 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine

4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80887416) has the molecular formula C11H16N6S and a molecular weight of 264.36 g/mol. Its IUPAC name is 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
PubChem CID80887416
Molecular FormulaC11H16N6S
Molecular Weight264.36 g/mol
Exact Mass264.12
IUPAC Name4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCCC(C)Sc1nc(NC)nc(-n2ccnc2)n1
InChIInChI=1S/C11H16N6S/c1-4-8(2)18-11-15-9(12-3)14-10(16-11)17-6-5-13-7-17/h5-8H,4H2,1-3H3,(H,12,14,15,16)
InChIKeyFWBRJWQTEWDPOP-UHFFFAOYSA-N
XLogP1.99
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.36
LogP ≤ 51.99
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-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80872626
4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 107784987
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]-methylamino]propan-1-ol
CID 104556976
2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3-methylbutan-1-ol
CID 80848735
4-imidazol-1-yl-N-methyl-6-pentan-2-yloxy-1,3,5-triazin-2-amine
CID 102989481
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
6-imidazol-1-yl-2-N,4-N-dimethyl-4-N-(3-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80793623
6-imidazol-1-yl-2-N-(1-methoxy-3-methylbutan-2-yl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80827415
N-ethyl-2-[[4-imidazol-1-yl-6-(methylamino)-1,3,5-triazin-2-yl]amino]acetamide
CID 80786781

Frequently Asked Questions

What is the IUPAC name of 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (CID 80887416) is 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is CCC(C)Sc1nc(NC)nc(-n2ccnc2)n1.
What is the InChIKey of 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is FWBRJWQTEWDPOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N6S/c1-4-8(2)18-11-15-9(12-3)14-10(16-11)17-6-5-13-7-17/h5-8H,4H2,1-3H3,(H,12,14,15,16).
What are the key properties of 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 264.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80887416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).