2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

C12H23N5O2 — CID 80780311

IUPAC2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCCNc1nc(NC(C)(C)CO)nc(OCC)n1
InChIInChI=1S/C12H23N5O2/c1-5-7-13-9-14-10(17-12(3,4)8-18)16-11(15-9)19-6-2/h18H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyHUABXEZCPMLKSI-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.27
Rot. Bonds8

About 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol

2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (PubChem CID 80780311) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
PubChem CID80780311
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol
SMILESCCCNc1nc(NC(C)(C)CO)nc(OCC)n1
InChIInChI=1S/C12H23N5O2/c1-5-7-13-9-14-10(17-12(3,4)8-18)16-11(15-9)19-6-2/h18H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyHUABXEZCPMLKSI-UHFFFAOYSA-N
XLogP1.27
TPSA92.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-ethoxy-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 80765702
6-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855312
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
2-N-[2-(dimethylamino)ethyl]-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80770559
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-N,N-dimethylacetamide
CID 80783926
2-ethyl-2-[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]propane-1,3-diol
CID 107868657
6-ethoxy-2-N-[2-[ethyl(methyl)amino]ethyl]-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80832327
6-ethoxy-4-N-propyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296089
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
1-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-3-methoxypropan-2-ol
CID 80835942
4-ethoxy-6-(2-propoxyethoxy)-N-propyl-1,3,5-triazin-2-amine
CID 80876867

Frequently Asked Questions

What is the IUPAC name of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The IUPAC name of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol (CID 80780311) is 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is CCCNc1nc(NC(C)(C)CO)nc(OCC)n1.
What is the InChIKey of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
The InChIKey is HUABXEZCPMLKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-7-13-9-14-10(17-12(3,4)8-18)16-11(15-9)19-6-2/h18H,5-8H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol?
2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 1.27, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-ethoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-1-ol is sourced from PubChem (CID 80780311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).