2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol

C11H19ClN4O2 — CID 62863945

IUPAC2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
SMILESCC(C)Oc1nc(Cl)nc(N(CCO)C(C)C)n1
InChIInChI=1S/C11H19ClN4O2/c1-7(2)16(5-6-17)10-13-9(12)14-11(15-10)18-8(3)4/h7-8,17H,5-6H2,1-4H3
InChIKeyLKOKBZVITAHKLC-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.52
Rot. Bonds6

About 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol

2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol (PubChem CID 62863945) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol.

Molecular Properties

Compound Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
PubChem CID62863945
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
SMILESCC(C)Oc1nc(Cl)nc(N(CCO)C(C)C)n1
InChIInChI=1S/C11H19ClN4O2/c1-7(2)16(5-6-17)10-13-9(12)14-11(15-10)18-8(3)4/h7-8,17H,5-6H2,1-4H3
InChIKeyLKOKBZVITAHKLC-UHFFFAOYSA-N
XLogP1.52
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol with MolForge

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Launch Full Analysis

Related Compounds

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 62864995
4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
CID 55124321
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
1-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79386097
3-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-(2-methylpropyl)amino]propanenitrile
CID 62864663
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
4-hydrazinyl-N-propan-2-yl-6-propan-2-yloxy-N-propyl-1,3,5-triazin-2-amine
CID 80895085
4-chloro-N-cyclopropyl-N-(cyclopropylmethyl)-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 64520815
4-chloro-N-cyclopropyl-6-propan-2-yloxy-N-(2,2,2-trifluoroethyl)-1,3,5-triazin-2-amine
CID 62863275
4-hydrazinyl-N-pentyl-N-propan-2-yl-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 80900261
2-[(5-chloro-2-methoxypyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80753262
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
CID 55124911

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol?
The IUPAC name of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol (CID 62863945) is 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol.
What is the SMILES notation for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol?
The canonical SMILES for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol is CC(C)Oc1nc(Cl)nc(N(CCO)C(C)C)n1.
What is the InChIKey of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol?
The InChIKey is LKOKBZVITAHKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-7(2)16(5-6-17)10-13-9(12)14-11(15-10)18-8(3)4/h7-8,17H,5-6H2,1-4H3.
What are the key properties of 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol?
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol has a molecular weight of 274.75 g/mol, XLogP of 1.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol is sourced from PubChem (CID 62863945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).