2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol

C13H24N6O2 — CID 80833190

IUPAC2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCNc1nc(NCC(C)(O)CO)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-13(21,9-20)8-15-11-16-10(14-2)17-12(18-11)19-6-4-3-5-7-19/h20-21H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyALAFODBFGAMYRL-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.06
Rot. Bonds6

About 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol

2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol (PubChem CID 80833190) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol.

Molecular Properties

Compound Name2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
PubChem CID80833190
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol
SMILESCNc1nc(NCC(C)(O)CO)nc(N2CCCCC2)n1
InChIInChI=1S/C13H24N6O2/c1-13(21,9-20)8-15-11-16-10(14-2)17-12(18-11)19-6-4-3-5-7-19/h20-21H,3-9H2,1-2H3,(H2,14,15,16,17,18)
InChIKeyALAFODBFGAMYRL-UHFFFAOYSA-N
XLogP0.06
TPSA106.43 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.06
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol with MolForge

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Related Compounds

2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80842795
2,2-dimethyl-3-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 115366480
2-methyl-1-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]-3-methylsulfanylpropan-2-ol
CID 106248906
4-N-methyl-6-piperidin-1-yl-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80785798
4-N-methyl-2-N-(2-methylpropyl)-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80770344
2-N-(2-methoxyethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80765916
2-N-(2,2-dimethylpropyl)-4-N-ethyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80775565
2-N-[2-(dimethylamino)ethyl]-4-N-methyl-6-piperidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80769896
N-(2,2-dimethylpropyl)-4-hydrazinyl-6-piperidin-1-yl-1,3,5-triazin-2-amine
CID 80899003
2-N-(3-methoxypropyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80772736
4-[[4-(methylamino)-6-pyrrolidin-1-yl-1,3,5-triazin-2-yl]amino]butan-2-ol
CID 80840379
2-N-(cyclobutylmethyl)-4-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazine-2,4-diamine
CID 80783502

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The IUPAC name of 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol (CID 80833190) is 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol.
What is the SMILES notation for 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The canonical SMILES for 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol is CNc1nc(NCC(C)(O)CO)nc(N2CCCCC2)n1.
What is the InChIKey of 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
The InChIKey is ALAFODBFGAMYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-13(21,9-20)8-15-11-16-10(14-2)17-12(18-11)19-6-4-3-5-7-19/h20-21H,3-9H2,1-2H3,(H2,14,15,16,17,18).
What are the key properties of 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol?
2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol has a molecular weight of 296.38 g/mol, XLogP of 0.06, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[[4-(methylamino)-6-piperidin-1-yl-1,3,5-triazin-2-yl]amino]propane-1,2-diol is sourced from PubChem (CID 80833190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).