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

C12H23N5O2 — CID 115366495

IUPAC3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCNc1nc(NCC(C)(C)CO)nc(OCC)n1
InChIInChI=1S/C12H23N5O2/c1-5-13-9-15-10(14-7-12(3,4)8-18)17-11(16-9)19-6-2/h18H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyLXXMMTOKUYVBSZ-UHFFFAOYSA-N
MW269.35 g/mol
LogP1.13
Rot. Bonds8

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

3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol (PubChem CID 115366495) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol.

Molecular Properties

Compound Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
PubChem CID115366495
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
SMILESCCNc1nc(NCC(C)(C)CO)nc(OCC)n1
InChIInChI=1S/C12H23N5O2/c1-5-13-9-15-10(14-7-12(3,4)8-18)17-11(16-9)19-6-2/h18H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyLXXMMTOKUYVBSZ-UHFFFAOYSA-N
XLogP1.13
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 ≤ 51.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol
CID 115366530
4-[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]-3,3-dimethylbutan-1-ol
CID 106149830
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propan-1-ol
CID 80773244
N-(2,2-dimethylbutyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 103466753
2-N-(2,2-dimethylbutyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 103466702
6-ethoxy-4-N-ethyl-2-N-(2,2,3,3-tetrafluoropropyl)-1,3,5-triazine-2,4-diamine
CID 106296113
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]propane-1,2-diol
CID 80850512
2-N-(2-ethoxy-2-methylpropyl)-4-N-ethyl-6-propoxy-1,3,5-triazine-2,4-diamine
CID 114944769
6-ethoxy-4-N-ethyl-2-N-(4,4,4-trifluorobutyl)-1,3,5-triazine-2,4-diamine
CID 115523140
5-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-4,4-dimethylpentan-1-ol
CID 106150044
N-(2,2-dimethylpropyl)-4-ethoxy-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80898695
1-[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]-3-ethylthiourea
CID 71383356

Frequently Asked Questions

What is the IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol?
The IUPAC name of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol (CID 115366495) is 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol.
What is the SMILES notation for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol?
The canonical SMILES for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol is CCNc1nc(NCC(C)(C)CO)nc(OCC)n1.
What is the InChIKey of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol?
The InChIKey is LXXMMTOKUYVBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-5-13-9-15-10(14-7-12(3,4)8-18)17-11(16-9)19-6-2/h18H,5-8H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol?
3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol has a molecular weight of 269.35 g/mol, XLogP of 1.13, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-ethoxy-6-(ethylamino)-1,3,5-triazin-2-yl]amino]-2,2-dimethylpropan-1-ol is sourced from PubChem (CID 115366495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).