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

C12H21N5O2 — CID 102875532

IUPAC3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
SMILESCCOc1nc(N)nc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-19-12-15-10(13)14-11(16-12)17(7-4-8-18)9-5-3-6-9/h9,18H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyWZFOPOZEQJSDLQ-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.59
Rot. Bonds7

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

3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol (PubChem CID 102875532) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
PubChem CID102875532
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol
SMILESCCOc1nc(N)nc(N(CCCO)C2CCC2)n1
InChIInChI=1S/C12H21N5O2/c1-2-19-12-15-10(13)14-11(16-12)17(7-4-8-18)9-5-3-6-9/h9,18H,2-8H2,1H3,(H2,13,14,15,16)
InChIKeyWZFOPOZEQJSDLQ-UHFFFAOYSA-N
XLogP0.59
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-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

2-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclohexylamino]ethanol
CID 80811347
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-ethoxy-1,3,5-triazine-2,4-diamine
CID 80845232
2-N-cyclopropyl-6-ethoxy-2-N-(2,2,2-trifluoroethyl)-1,3,5-triazine-2,4-diamine
CID 80815110
2-N-cyclopropyl-6-methoxy-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80775722
3-[(2-aminopyrimidin-4-yl)-cyclobutylamino]propan-1-ol
CID 102875612
3-[[2-amino-6-(methylamino)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875573
2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]-cyclopropylamino]ethanol
CID 80811019
3-[cyclobutyl-(5,6-diethyl-1,2,4-triazin-3-yl)amino]propan-1-ol
CID 102868602
2-N-cyclopropyl-2-N-(cyclopropylmethyl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 80844355
6-ethoxy-2-N-methyl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80776108
N-cyclohexyl-4-ethoxy-N-ethyl-6-hydrazinyl-1,3,5-triazin-2-amine
CID 80927598
3-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]-cyclobutylamino]propan-1-ol
CID 102875611

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
The IUPAC name of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol (CID 102875532) is 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
The canonical SMILES for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol is CCOc1nc(N)nc(N(CCCO)C2CCC2)n1.
What is the InChIKey of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
The InChIKey is WZFOPOZEQJSDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-2-19-12-15-10(13)14-11(16-12)17(7-4-8-18)9-5-3-6-9/h9,18H,2-8H2,1H3,(H2,13,14,15,16).
What are the key properties of 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol?
3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol has a molecular weight of 267.33 g/mol, XLogP of 0.59, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-cyclobutylamino]propan-1-ol is sourced from PubChem (CID 102875532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).