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

C13H19N7S — CID 80883734

IUPAC6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H19N7S/c1-5-20(6-2)11-17-10(14)18-13(19-11)21-12-15-8(3)7-9(4)16-12/h7H,5-6H2,1-4H3,(H2,14,17,18,19)
InChIKeySESMJQDWZMCTGL-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.86
Rot. Bonds5

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

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (PubChem CID 80883734) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
PubChem CID80883734
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nc(C)cc(C)n2)n1
InChIInChI=1S/C13H19N7S/c1-5-20(6-2)11-17-10(14)18-13(19-11)21-12-15-8(3)7-9(4)16-12/h7H,5-6H2,1-4H3,(H2,14,17,18,19)
InChIKeySESMJQDWZMCTGL-UHFFFAOYSA-N
XLogP1.86
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80891744
6-(3-bromophenyl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80888786
2-N,2-N-diethyl-6-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 80885759
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
6-[(5-chloro-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80891433
2-N,2-N-diethyl-6-(1-methylimidazol-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80887073
2-N,2-N-diethyl-6-(3-methylbutylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 107766044
2-N,2-N-diethyl-6-(2-methoxyphenyl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883814
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
3-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]sulfanyl]butan-1-ol
CID 80890311
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 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine (CID 80883734) is 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2nc(C)cc(C)n2)n1.
What is the InChIKey of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SESMJQDWZMCTGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-5-20(6-2)11-17-10(14)18-13(19-11)21-12-15-8(3)7-9(4)16-12/h7H,5-6H2,1-4H3,(H2,14,17,18,19).
What are the key properties of 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine?
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.41 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80883734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).