2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine

C16H19N7S — CID 25342164

IUPAC2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Sc1nccn1-c1ccccc1)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H19N7S/c1-11(13-19-14(17)21-15(20-13)22(2)3)24-16-18-9-10-23(16)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,17,19,20,21)/t11-/m1/s1
InChIKeyZDSCHEAVNROCLQ-LLVKDONJSA-N
MW341.44 g/mol
LogP2.56
Rot. Bonds5

About 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine

2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 25342164) has the molecular formula C16H19N7S and a molecular weight of 341.44 g/mol. Its IUPAC name is 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
PubChem CID25342164
Molecular FormulaC16H19N7S
Molecular Weight341.44 g/mol
Exact Mass341.14
IUPAC Name2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](Sc1nccn1-c1ccccc1)c1nc(N)nc(N(C)C)n1
InChIInChI=1S/C16H19N7S/c1-11(13-19-14(17)21-15(20-13)22(2)3)24-16-18-9-10-23(16)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,17,19,20,21)/t11-/m1/s1
InChIKeyZDSCHEAVNROCLQ-LLVKDONJSA-N
XLogP2.56
TPSA85.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

6-[1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 17434759
2-N,2-N-dimethyl-6-[1-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 42889765
2-N,2-N-dimethyl-6-[1-(2-methylphenyl)sulfanylethyl]-1,3,5-triazine-2,4-diamine
CID 47357389
6-[1-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 51279678
6-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanyl-1-phenyl-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 135890783
6-[1-[[5-(2-methoxyphenyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 55458327
6-[[1-(4-bromophenyl)imidazol-2-yl]sulfanylmethyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 16575634
2-N,2-N-dimethyl-6-[1-[[4-(2-methylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3,5-triazine-2,4-diamine
CID 42925578
2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-3-(2,5-dimethylphenyl)quinazolin-4-one
CID 42883572
N-[4-[(1R)-1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethyl]sulfanylphenyl]acetamide
CID 40882562
3-methyl-5-[1-[1-(3-methylphenyl)imidazol-2-yl]sulfanylethyl]-1,2,4-oxadiazole
CID 134052377
N,N-dimethyl-2-[(1-phenylimidazol-2-yl)sulfanylmethyl]aniline
CID 10828707

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine (CID 25342164) is 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](Sc1nccn1-c1ccccc1)c1nc(N)nc(N(C)C)n1.
What is the InChIKey of 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZDSCHEAVNROCLQ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H19N7S/c1-11(13-19-14(17)21-15(20-13)22(2)3)24-16-18-9-10-23(16)12-7-5-4-6-8-12/h4-11H,1-3H3,(H2,17,19,20,21)/t11-/m1/s1.
What are the key properties of 2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine?
2-N,2-N-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 341.44 g/mol, XLogP of 2.56, 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-dimethyl-6-[(1R)-1-(1-phenylimidazol-2-yl)sulfanylethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 25342164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).