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

C12H21ClN4O2 — CID 79386097

IUPAC1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C12H21ClN4O2/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
InChIKeyBFTRUSRVOQRVJS-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.91
Rot. Bonds6

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

1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol (PubChem CID 79386097) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
PubChem CID79386097
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
SMILESCCN(CC(C)(C)O)c1nc(Cl)nc(OC(C)C)n1
InChIInChI=1S/C12H21ClN4O2/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
InChIKeyBFTRUSRVOQRVJS-UHFFFAOYSA-N
XLogP1.91
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(4-chloro-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-amino-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848544
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 79386252
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 62863945
1-[(4-chloro-6-piperidin-1-yl-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79378246
4-chloro-N,N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazin-2-amine
CID 62868921
1-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 80848467
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 62864663
4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863275
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
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-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)oxy]-N,N,2-trimethylpropan-2-amine
CID 79679199

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol (CID 79386097) is 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol is CCN(CC(C)(C)O)c1nc(Cl)nc(OC(C)C)n1.
What is the InChIKey of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
The InChIKey is BFTRUSRVOQRVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/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.
What are the key properties of 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol?
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol has a molecular weight of 288.78 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79386097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).