3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol

C12H21ClN4O2 — CID 106116866

IUPAC3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-5-9(6-7-18)8-14-11-15-10(13)16-12(17-11)19-4-2/h9,18H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeySXASSMCROKAKBP-UHFFFAOYSA-N
MW288.78 g/mol
LogP2.13
Rot. Bonds9

About 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol

3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol (PubChem CID 106116866) has the molecular formula C12H21ClN4O2 and a molecular weight of 288.78 g/mol. Its IUPAC name is 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
PubChem CID106116866
Molecular FormulaC12H21ClN4O2
Molecular Weight288.78 g/mol
Exact Mass288.14
IUPAC Name3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(Cl)nc(OCC)n1
InChIInChI=1S/C12H21ClN4O2/c1-3-5-9(6-7-18)8-14-11-15-10(13)16-12(17-11)19-4-2/h9,18H,3-8H2,1-2H3,(H,14,15,16,17)
InChIKeySXASSMCROKAKBP-UHFFFAOYSA-N
XLogP2.13
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol with MolForge

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Related Compounds

4-chloro-N-(2,2-dimethoxyethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 106197176
4-chloro-N-(2-ethylhexyl)-6-propoxy-1,3,5-triazin-2-amine
CID 107817648
4-chloro-6-ethoxy-N-propyl-1,3,5-triazin-2-amine
CID 62858534
3-[[[4-methoxy-6-(propylamino)-1,3,5-triazin-2-yl]amino]methyl]hexan-1-ol
CID 106118553
3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
CID 114145921
4-chloro-6-ethoxy-N-(3-methoxy-2-methylpropyl)-1,3,5-triazin-2-amine
CID 62858555
3-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]hexan-1-ol
CID 106115742
1-[(4-chloro-6-propoxy-1,3,5-triazin-2-yl)amino]propan-2-ol
CID 62864552
4-chloro-N-(2-chloroethyl)-6-ethoxy-1,3,5-triazin-2-amine
CID 14027402
2-[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]propan-1-ol
CID 62857388
2-[[4-chloro-6-(propylamino)-1,3,5-triazin-2-yl]oxy]ethanol
CID 80860791
4-[(4-amino-6-ethoxy-1,3,5-triazin-2-yl)amino]-3-methylbutan-1-ol
CID 80850665

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol (CID 106116866) is 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(Cl)nc(OCC)n1.
What is the InChIKey of 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
The InChIKey is SXASSMCROKAKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21ClN4O2/c1-3-5-9(6-7-18)8-14-11-15-10(13)16-12(17-11)19-4-2/h9,18H,3-8H2,1-2H3,(H,14,15,16,17).
What are the key properties of 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol has a molecular weight of 288.78 g/mol, XLogP of 2.13, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-chloro-6-ethoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 106116866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).