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

C13H19N7S — CID 80883010

IUPAC2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(Sc2ncc(C)cn2)n1
InChIInChI=1S/C13H19N7S/c1-5-20(6-2)11-17-10(14-4)18-13(19-11)21-12-15-7-9(3)8-16-12/h7-8H,5-6H2,1-4H3,(H,14,17,18,19)
InChIKeyQNJXWADEUWTZCI-UHFFFAOYSA-N
MW305.41 g/mol
LogP2.01
Rot. Bonds6

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

2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine (PubChem CID 80883010) has the molecular formula C13H19N7S and a molecular weight of 305.41 g/mol. Its IUPAC name is 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
PubChem CID80883010
Molecular FormulaC13H19N7S
Molecular Weight305.41 g/mol
Exact Mass305.14
IUPAC Name2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(NC)nc(Sc2ncc(C)cn2)n1
InChIInChI=1S/C13H19N7S/c1-5-20(6-2)11-17-10(14-4)18-13(19-11)21-12-15-7-9(3)8-16-12/h7-8H,5-6H2,1-4H3,(H,14,17,18,19)
InChIKeyQNJXWADEUWTZCI-UHFFFAOYSA-N
XLogP2.01
TPSA79.72 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

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Related Compounds

2-N,2-N-diethyl-4-N-methyl-6-pyridin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80882962
6-[(3-bromo-2-pyridinyl)sulfanyl]-2-N,2-N-diethyl-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80887782
N,N-diethyl-4-hydrazinyl-6-(4-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazin-2-amine
CID 80925367
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]sulfanyl]propan-1-ol
CID 80890395
2-N,2-N-diethyl-6-N-methyl-4-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80783065
4-N-tert-butyl-2-N,2-N-diethyl-6-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 80768855
2-N,2-N,4-N-triethyl-6-pyrazin-2-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80887509
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
2-N,2-N-diethyl-4-N-methyl-6-(5-methyl-3-pyridinyl)-1,3,5-triazine-2,4-diamine
CID 115375435
N,N-diethyl-4-hydrazinyl-6-phenylsulfanyl-1,3,5-triazin-2-amine
CID 80925981
3-[[4-(diethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]oxy]propan-1-ol
CID 80867459
2-N,2-N,4-N-triethyl-6-pyridin-4-ylsulfanyl-1,3,5-triazine-2,4-diamine
CID 80888456

Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine (CID 80883010) is 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(NC)nc(Sc2ncc(C)cn2)n1.
What is the InChIKey of 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
The InChIKey is QNJXWADEUWTZCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7S/c1-5-20(6-2)11-17-10(14-4)18-13(19-11)21-12-15-7-9(3)8-16-12/h7-8H,5-6H2,1-4H3,(H,14,17,18,19).
What are the key properties of 2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine?
2-N,2-N-diethyl-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine has a molecular weight of 305.41 g/mol, XLogP of 2.01, 6 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-4-N-methyl-6-(5-methylpyrimidin-2-yl)sulfanyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80883010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).