1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol

C12H23N5O2 — CID 80848544

IUPAC1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-6-17(7-12(4,5)18)10-14-9(13)15-11(16-10)19-8(2)3/h8,18H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyCKPIXFSNRKBWOR-UHFFFAOYSA-N
MW269.35 g/mol
LogP0.84
Rot. Bonds6

About 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol

1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 80848544) has the molecular formula C12H23N5O2 and a molecular weight of 269.35 g/mol. Its IUPAC name is 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID80848544
Molecular FormulaC12H23N5O2
Molecular Weight269.35 g/mol
Exact Mass269.19
IUPAC Name1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(N)nc(OC(C)C)n1
InChIInChI=1S/C12H23N5O2/c1-6-17(7-12(4,5)18)10-14-9(13)15-11(16-10)19-8(2)3/h8,18H,6-7H2,1-5H3,(H2,13,14,15,16)
InChIKeyCKPIXFSNRKBWOR-UHFFFAOYSA-N
XLogP0.84
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 50.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79386097
1-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848467
2-N-methyl-2-N-(2-methylbutan-2-yl)-6-propan-2-yloxy-1,3,5-triazine-2,4-diamine
CID 80838818
2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 80862184
2-N-ethyl-6-methoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849720
3-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 80812627
1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79390171
1-[ethyl-[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropan-2-ol
CID 80848621
1-(3-amino-N-ethyl-5-propan-2-yloxyanilino)-2-methylpropan-2-ol
CID 80734941
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 80821234
6-butan-2-yloxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 80866087

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol (CID 80848544) is 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(N)nc(OC(C)C)n1.
What is the InChIKey of 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is CKPIXFSNRKBWOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N5O2/c1-6-17(7-12(4,5)18)10-14-9(13)15-11(16-10)19-8(2)3/h8,18H,6-7H2,1-5H3,(H2,13,14,15,16).
What are the key properties of 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 269.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 80848544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).