2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine

C11H17N7S — CID 80887073

IUPAC2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nccn2C)n1
InChIInChI=1S/C11H17N7S/c1-4-18(5-2)9-14-8(12)15-10(16-9)19-11-13-6-7-17(11)3/h6-7H,4-5H2,1-3H3,(H2,12,14,15,16)
InChIKeyKGHTZPRJSBYTJS-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.18
Rot. Bonds5

About 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine

2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80887073) has the molecular formula C11H17N7S and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80887073
Molecular FormulaC11H17N7S
Molecular Weight279.37 g/mol
Exact Mass279.13
IUPAC Name2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nccn2C)n1
InChIInChI=1S/C11H17N7S/c1-4-18(5-2)9-14-8(12)15-10(16-9)19-11-13-6-7-17(11)3/h6-7H,4-5H2,1-3H3,(H2,12,14,15,16)
InChIKeyKGHTZPRJSBYTJS-UHFFFAOYSA-N
XLogP1.18
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine;prop-1-ene
CID 143757782
2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 80885759
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80883734
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80891433
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 102927066
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
4-N,4-N-diethyl-6-(2-ethylimidazol-1-yl)-1,3,5-triazine-2,4-diamine
CID 80857709
6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80888786
2-N,2-N-diethyl-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883814
[4-(1-methylimidazol-2-yl)sulfanyl-6-propoxy-1,3,5-triazin-2-yl]hydrazine
CID 80922420
1-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]pyrrolidine-2,5-dione
CID 21488338

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 80887073) is 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2nccn2C)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is KGHTZPRJSBYTJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N7S/c1-4-18(5-2)9-14-8(12)15-10(16-9)19-11-13-6-7-17(11)3/h6-7H,4-5H2,1-3H3,(H2,12,14,15,16).
What are the key properties of 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 279.37 g/mol, XLogP of 1.18, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80887073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).