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

C11H19ClN4O2 — CID 79386092

IUPAC1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCCCOc1nc(Cl)nc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C11H19ClN4O2/c1-5-6-18-10-14-8(12)13-9(15-10)16(4)7-11(2,3)17/h17H,5-7H2,1-4H3
InChIKeyKZXUFPIGUZSUTJ-UHFFFAOYSA-N
MW274.75 g/mol
LogP1.52
Rot. Bonds6

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

1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol (PubChem CID 79386092) has the molecular formula C11H19ClN4O2 and a molecular weight of 274.75 g/mol. Its IUPAC name is 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
PubChem CID79386092
Molecular FormulaC11H19ClN4O2
Molecular Weight274.75 g/mol
Exact Mass274.12
IUPAC Name1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol
SMILESCCCOc1nc(Cl)nc(N(C)CC(C)(C)O)n1
InChIInChI=1S/C11H19ClN4O2/c1-5-6-18-10-14-8(12)13-9(15-10)16(4)7-11(2,3)17/h17H,5-7H2,1-4H3
InChIKeyKZXUFPIGUZSUTJ-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

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Related Compounds

4-chloro-N-(2,2-dimethylpropyl)-6-ethoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858392
1-[[4-chloro-6-(diethylamino)-1,3,5-triazin-2-yl]-methylamino]-2-methylpropan-2-ol
CID 79386252
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-propan-2-ylamino]propan-1-ol
CID 62864995
4-chloro-N-methyl-N-[(4-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62868348
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-N-propan-2-ylacetamide
CID 62863611
4-chloro-N-methyl-N-[(2-methylphenyl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 62864242
4-chloro-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 63838044
2-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylethanamine
CID 62868290
4-chloro-N-methyl-N-[(1-methylpyrrolidin-2-yl)methyl]-6-propoxy-1,3,5-triazin-2-amine
CID 79315410
3-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)oxy]-N,N-dimethylpropan-1-amine
CID 62870340
4-chloro-N-(2-methoxy-2-methylpropyl)-6-propoxy-1,3,5-triazin-2-amine
CID 104764536
N'-(4-chloro-6-methoxy-1,3,5-triazin-2-yl)-N',2,2-trimethylpropane-1,3-diamine
CID 79651889

Frequently Asked Questions

What is the IUPAC name of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The IUPAC name of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol (CID 79386092) is 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol.
What is the SMILES notation for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The canonical SMILES for 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol is CCCOc1nc(Cl)nc(N(C)CC(C)(C)O)n1.
What is the InChIKey of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
The InChIKey is KZXUFPIGUZSUTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19ClN4O2/c1-5-6-18-10-14-8(12)13-9(15-10)16(4)7-11(2,3)17/h17H,5-7H2,1-4H3.
What are the key properties of 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol?
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol 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 1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)-methylamino]-2-methylpropan-2-ol is sourced from PubChem (CID 79386092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).