4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

C13H24N6S — CID 115988805

IUPAC4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCSCC(C)N(C)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6S/c1-10(9-20-3)18(2)12-15-11(14)16-13(17-12)19-7-5-4-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyYIBVVRQBVZMROO-UHFFFAOYSA-N
MW296.44 g/mol
LogP1.63
Rot. Bonds5

About 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine

4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (PubChem CID 115988805) has the molecular formula C13H24N6S and a molecular weight of 296.44 g/mol. Its IUPAC name is 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
PubChem CID115988805
Molecular FormulaC13H24N6S
Molecular Weight296.44 g/mol
Exact Mass296.18
IUPAC Name4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
SMILESCSCC(C)N(C)c1nc(N)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6S/c1-10(9-20-3)18(2)12-15-11(14)16-13(17-12)19-7-5-4-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17)
InChIKeyYIBVVRQBVZMROO-UHFFFAOYSA-N
XLogP1.63
TPSA71.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-N,4-N-diethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80767241
4-N-methyl-4-N-(2-methylsulfanylethyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 112667710
4-N-methyl-4-N-(2-methylbutyl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80784659
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-pyrazol-1-yl-1,3,5-triazine-2,4-diamine
CID 112667910
2-N-[2-(dimethylamino)propyl]-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80819399
2-N,4-N-dimethyl-4-N-(1-methylsulfanylbutan-2-yl)-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 115988768
4-N-methyl-6-morpholin-4-yl-4-N-pentan-3-yl-1,3,5-triazine-2,4-diamine
CID 80793641
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 80787081
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80791014
4-N-methyl-6-pyrrolidin-1-yl-4-N-(2-pyrrolidin-1-ylethyl)-1,3,5-triazine-2,4-diamine
CID 80814113
4-N-ethyl-6-piperidin-1-yl-4-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80789831
3-[(4-amino-6-piperidin-1-yl-1,3,5-triazin-2-yl)-methylamino]propanenitrile
CID 80754225

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine (CID 115988805) is 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is CSCC(C)N(C)c1nc(N)nc(N2CCCCC2)n1.
What is the InChIKey of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
The InChIKey is YIBVVRQBVZMROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6S/c1-10(9-20-3)18(2)12-15-11(14)16-13(17-12)19-7-5-4-6-8-19/h10H,4-9H2,1-3H3,(H2,14,15,16,17).
What are the key properties of 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine?
4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine has a molecular weight of 296.44 g/mol, XLogP of 1.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-(1-methylsulfanylpropan-2-yl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 115988805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).