2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

C11H21N5OS — CID 112667737

IUPAC2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)CCSC)n1
InChIInChI=1S/C11H21N5OS/c1-5-7-17-11-14-9(12-2)13-10(15-11)16(3)6-8-18-4/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyOVYVMAPVEXEQDK-UHFFFAOYSA-N
MW271.39 g/mol
LogP1.50
Rot. Bonds8

About 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine

2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (PubChem CID 112667737) has the molecular formula C11H21N5OS and a molecular weight of 271.39 g/mol. Its IUPAC name is 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
PubChem CID112667737
Molecular FormulaC11H21N5OS
Molecular Weight271.39 g/mol
Exact Mass271.15
IUPAC Name2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
SMILESCCCOc1nc(NC)nc(N(C)CCSC)n1
InChIInChI=1S/C11H21N5OS/c1-5-7-17-11-14-9(12-2)13-10(15-11)16(3)6-8-18-4/h5-8H2,1-4H3,(H,12,13,14,15)
InChIKeyOVYVMAPVEXEQDK-UHFFFAOYSA-N
XLogP1.50
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.39
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-[3-(dimethylamino)propyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80845422
2-N,4-N-dimethyl-6-propoxy-2-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80812961
2-N,4-N,4-N,6-N-tetramethyl-2-N-(2-methylsulfanylethyl)-1,3,5-triazine-2,4,6-triamine
CID 112667746
2-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]acetamide
CID 80779284
1-methoxy-3-[methyl-[4-(methylamino)-6-propoxy-1,3,5-triazin-2-yl]amino]propan-2-ol
CID 80811033
2-N,4-N-dimethyl-2-N-(3-methylbutan-2-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80793836
4-hydrazinyl-N-methyl-6-propoxy-N-(3,3,3-trifluoropropyl)-1,3,5-triazin-2-amine
CID 80924992
N-methyl-4-pentoxy-6-propoxy-1,3,5-triazin-2-amine
CID 80865211
4-[2-(diethylamino)ethylsulfanyl]-N-methyl-6-propoxy-1,3,5-triazin-2-amine
CID 80890906
2-N,4-N-dimethyl-2-N-(2-methylphenyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80795742
2-N-[(5-chlorothiophen-2-yl)methyl]-2-N,4-N-dimethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80780610
2-N,4-N-dimethyl-2-N-[(2-methylfuran-3-yl)methyl]-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80779456

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine (CID 112667737) is 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is CCCOc1nc(NC)nc(N(C)CCSC)n1.
What is the InChIKey of 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is OVYVMAPVEXEQDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5OS/c1-5-7-17-11-14-9(12-2)13-10(15-11)16(3)6-8-18-4/h5-8H2,1-4H3,(H,12,13,14,15).
What are the key properties of 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine?
2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 271.39 g/mol, XLogP of 1.50, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-dimethyl-2-N-(2-methylsulfanylethyl)-6-propoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 112667737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).