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

C12H17N7S — CID 80891744

IUPAC2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H17N7S/c1-4-19(5-2)10-16-9(13)17-12(18-10)20-11-14-7-6-8(3)15-11/h6-7H,4-5H2,1-3H3,(H2,13,16,17,18)
InChIKeyZLVAGAZDUFKHLP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.55
Rot. Bonds5

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

2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80891744) has the molecular formula C12H17N7S and a molecular weight of 291.38 g/mol. Its IUPAC name is 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80891744
Molecular FormulaC12H17N7S
Molecular Weight291.38 g/mol
Exact Mass291.13
IUPAC Name2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(N)nc(Sc2nccc(C)n2)n1
InChIInChI=1S/C12H17N7S/c1-4-19(5-2)10-16-9(13)17-12(18-10)20-11-14-7-6-8(3)15-11/h6-7H,4-5H2,1-3H3,(H2,13,16,17,18)
InChIKeyZLVAGAZDUFKHLP-UHFFFAOYSA-N
XLogP1.55
TPSA93.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-N,2-N-diethyl-1,3,5-triazine-2,4-diamine
CID 80883734
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
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-(1,3-thiazol-2-ylsulfanyl)-1,3,5-triazine-2,4-diamine
CID 80885759
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
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
2-N,2-N-diethyl-6-propylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888494
4-N-ethyl-6-(4-methylpyrimidin-2-yl)sulfanylpyrimidine-2,4-diamine
CID 80892050
N-ethyl-1-[4-(4-methylpyrimidin-2-yl)sulfanylphenyl]ethanamine
CID 62268390
4-methyl-2-(2H-tetrazol-5-ylsulfanyl)pyrimidine
CID 130686231

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 80891744) is 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(N)nc(Sc2nccc(C)n2)n1.
What is the InChIKey of 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is ZLVAGAZDUFKHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N7S/c1-4-19(5-2)10-16-9(13)17-12(18-10)20-11-14-7-6-8(3)15-11/h6-7H,4-5H2,1-3H3,(H2,13,16,17,18).
What are the key properties of 2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 291.38 g/mol, XLogP of 1.55, 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-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80891744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).