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

C12H21ClN4O2 — CID 62864995

IUPAC3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
SMILESCCCOc1nc(Cl)nc(N(CCCO)C(C)C)n1
InChIInChI=1S/C12H21ClN4O2/c1-4-8-19-12-15-10(13)14-11(16-12)17(9(2)3)6-5-7-18/h9,18H,4-8H2,1-3H3
InChIKeyWLTKUOLQJIMTLF-UHFFFAOYSA-N
MW288.78 g/mol
LogP1.91
Rot. Bonds8

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

3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol (PubChem CID 62864995) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol.

Molecular Properties

Compound Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
PubChem CID62864995
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
SMILESCCCOc1nc(Cl)nc(N(CCCO)C(C)C)n1
InChIInChI=1S/C12H21ClN4O2/c1-4-8-19-12-15-10(13)14-11(16-12)17(9(2)3)6-5-7-18/h9,18H,4-8H2,1-3H3
InChIKeyWLTKUOLQJIMTLF-UHFFFAOYSA-N
XLogP1.91
TPSA71.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
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 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol with MolForge

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Related Compounds

2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]acetamide
CID 55124911
4-chloro-6-ethoxy-N-propan-2-yl-N-propyl-1,3,5-triazin-2-amine
CID 55124321
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]propan-1-ol
CID 62870657
2-[(4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-yl)-propan-2-ylamino]ethanol
CID 62863945
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
CID 79386092
4,6-dichloro-N-(2-methoxyethyl)-N-propan-2-yl-1,3,5-triazin-2-amine
CID 82961053
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-ethylamino]-2-methylpropanenitrile
CID 62864991
N-butyl-4-chloro-N-cyclopropyl-6-propoxy-1,3,5-triazin-2-amine
CID 62863220
4-chloro-6-ethoxy-N-methyl-N-propan-2-yl-1,3,5-triazin-2-amine
CID 62857557
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 62863611
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol?
The IUPAC name of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol (CID 62864995) is 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol.
What is the SMILES notation for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol?
The canonical SMILES for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol is CCCOc1nc(Cl)nc(N(CCCO)C(C)C)n1.
What is the InChIKey of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol?
The InChIKey is WLTKUOLQJIMTLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-4-8-19-12-15-10(13)14-11(16-12)17(9(2)3)6-5-7-18/h9,18H,4-8H2,1-3H3.
What are the key properties of 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol?
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol has a molecular weight of 288.78 g/mol, XLogP of 1.91, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol is sourced from PubChem (CID 62864995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).