2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine

C13H19N7S — CID 80887509

IUPAC2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Sc2cnccn2)nc(N(CC)CC)n1
InChIInChI=1S/C13H19N7S/c1-4-15-11-17-12(20(5-2)6-3)19-13(18-11)21-10-9-14-7-8-16-10/h7-9H,4-6H2,1-3H3,(H,15,17,18,19)
InChIKeyJHMSXPFUPZJWNB-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.09
Rot. Bonds7

About 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine

2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80887509) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80887509
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(Sc2cnccn2)nc(N(CC)CC)n1
InChIInChI=1S/C13H19N7S/c1-4-15-11-17-12(20(5-2)6-3)19-13(18-11)21-10-9-14-7-8-16-10/h7-9H,4-6H2,1-3H3,(H,15,17,18,19)
InChIKeyJHMSXPFUPZJWNB-UHFFFAOYSA-N
XLogP2.09
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888456
6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]trisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 54292707
2-N,2-N,4-N-triethyl-6-(1-methylpyrazol-4-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80882617
2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962
2-N,2-N,4-N-triethyl-6-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 106928502
4-methoxy-N-propyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889440
2-N,2-N,4-N-triethyl-6-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1,3,5-triazine-2,4-diamine
CID 80873629
4-ethoxy-N-methyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazin-2-amine
CID 80889694
6-[6-[[4-(diethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]disulfanyl]hexyldisulfanyl]-2-N,2-N,4-N-triethyl-1,3,5-triazine-2,4-diamine
CID 110191274
2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
CID 80883010
2-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]sulfanyl]-1H-pyrimidin-6-one
CID 80893711
2-N,2-N,6-N-triethyl-4-N-(1,3-thiazol-2-ylmethyl)-1,3,5-triazine-2,4,6-triamine
CID 80782409

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine (CID 80887509) is 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine is CCNc1nc(Sc2cnccn2)nc(N(CC)CC)n1.
What is the InChIKey of 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JHMSXPFUPZJWNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-4-15-11-17-12(20(5-2)6-3)19-13(18-11)21-10-9-14-7-8-16-10/h7-9H,4-6H2,1-3H3,(H,15,17,18,19).
What are the key properties of 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.41 g/mol, XLogP of 2.09, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80887509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).