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

C14H14N6S — CID 80872626

IUPAC4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCc2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H14N6S/c1-15-12-17-13(20-8-7-16-10-20)19-14(18-12)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,17,18,19)
InChIKeyPZTMQMSXPQHKRQ-UHFFFAOYSA-N
MW298.38 g/mol
LogP2.39
Rot. Bonds5

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

4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (PubChem CID 80872626) has the molecular formula C14H14N6S and a molecular weight of 298.38 g/mol. Its IUPAC name is 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
PubChem CID80872626
Molecular FormulaC14H14N6S
Molecular Weight298.38 g/mol
Exact Mass298.10
IUPAC Name4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
SMILESCNc1nc(SCc2ccccc2)nc(-n2ccnc2)n1
InChIInChI=1S/C14H14N6S/c1-15-12-17-13(20-8-7-16-10-20)19-14(18-12)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,17,18,19)
InChIKeyPZTMQMSXPQHKRQ-UHFFFAOYSA-N
XLogP2.39
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.38
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-imidazol-1-yl-N-methyl-6-pentylsulfanyl-1,3,5-triazin-2-amine
CID 107765392
4-butan-2-ylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80887416
6-imidazol-1-yl-4-N-methyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771615
4-imidazol-1-yl-6-(1H-imidazol-2-ylsulfanyl)-N-methyl-1,3,5-triazin-2-amine
CID 107784987
(4-benzylsulfanyl-6-pyrazol-1-yl-1,3,5-triazin-2-yl)hydrazine
CID 80925567
2-N-(2-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737556
2-[(4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-yl)sulfanyl]ethanol
CID 80921833
2-N-(3-fluorophenyl)-6-imidazol-1-yl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80737116
N-benzyl-4-hydrazinyl-6-imidazol-1-yl-1,3,5-triazin-2-amine
CID 80911395
4-imidazol-1-yl-6-(2-methylpropylsulfanyl)-N-propyl-1,3,5-triazin-2-amine
CID 80893406
3-[[4-(ethylamino)-6-imidazol-1-yl-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890922
4-(4,4-dimethylpiperidin-1-yl)-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine
CID 80807554

Frequently Asked Questions

What is the IUPAC name of 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The IUPAC name of 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine (CID 80872626) is 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is CNc1nc(SCc2ccccc2)nc(-n2ccnc2)n1.
What is the InChIKey of 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
The InChIKey is PZTMQMSXPQHKRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6S/c1-15-12-17-13(20-8-7-16-10-20)19-14(18-12)21-9-11-5-3-2-4-6-11/h2-8,10H,9H2,1H3,(H,15,17,18,19).
What are the key properties of 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine?
4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine has a molecular weight of 298.38 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzylsulfanyl-6-imidazol-1-yl-N-methyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80872626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).