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

C11H21N5O2 — CID 114145921

IUPAC3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(N)nc(OC)n1
InChIInChI=1S/C11H21N5O2/c1-3-4-8(5-6-17)7-13-10-14-9(12)15-11(16-10)18-2/h8,17H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyOYKBAMWYPMXKDA-UHFFFAOYSA-N
MW255.32 g/mol
LogP0.67
Rot. Bonds8

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

3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol (PubChem CID 114145921) has the molecular formula C11H21N5O2 and a molecular weight of 255.32 g/mol. Its IUPAC name is 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol.

Molecular Properties

Compound Name3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
PubChem CID114145921
Molecular FormulaC11H21N5O2
Molecular Weight255.32 g/mol
Exact Mass255.17
IUPAC Name3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol
SMILESCCCC(CCO)CNc1nc(N)nc(OC)n1
InChIInChI=1S/C11H21N5O2/c1-3-4-8(5-6-17)7-13-10-14-9(12)15-11(16-10)18-2/h8,17H,3-7H2,1-2H3,(H3,12,13,14,15,16)
InChIKeyOYKBAMWYPMXKDA-UHFFFAOYSA-N
XLogP0.67
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
The IUPAC name of 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol (CID 114145921) is 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol.
What is the SMILES notation for 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
The canonical SMILES for 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol is CCCC(CCO)CNc1nc(N)nc(OC)n1.
What is the InChIKey of 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
The InChIKey is OYKBAMWYPMXKDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N5O2/c1-3-4-8(5-6-17)7-13-10-14-9(12)15-11(16-10)18-2/h8,17H,3-7H2,1-2H3,(H3,12,13,14,15,16).
What are the key properties of 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol?
3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol has a molecular weight of 255.32 g/mol, XLogP of 0.67, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-amino-6-methoxy-1,3,5-triazin-2-yl)amino]methyl]hexan-1-ol is sourced from PubChem (CID 114145921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).