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

C11H22N6O — CID 80852385

IUPAC3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-4-8(5-6-18)7-13-10-14-9(12)15-11(16-10)17(2)3/h8,18H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyCTMWOFHDZCGBMY-UHFFFAOYSA-N
MW254.34 g/mol
LogP0.34
Rot. Bonds7

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

3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (PubChem CID 80852385) has the molecular formula C11H22N6O and a molecular weight of 254.34 g/mol. Its IUPAC name is 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
PubChem CID80852385
Molecular FormulaC11H22N6O
Molecular Weight254.34 g/mol
Exact Mass254.19
IUPAC Name3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(N)nc(N(C)C)n1
InChIInChI=1S/C11H22N6O/c1-4-8(5-6-18)7-13-10-14-9(12)15-11(16-10)17(2)3/h8,18H,4-7H2,1-3H3,(H3,12,13,14,15,16)
InChIKeyCTMWOFHDZCGBMY-UHFFFAOYSA-N
XLogP0.34
TPSA100.19 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 50.34
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-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (CID 80852385) is 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is CCC(CCO)CNc1nc(N)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The InChIKey is CTMWOFHDZCGBMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22N6O/c1-4-8(5-6-18)7-13-10-14-9(12)15-11(16-10)17(2)3/h8,18H,4-7H2,1-3H3,(H3,12,13,14,15,16).
What are the key properties of 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol has a molecular weight of 254.34 g/mol, XLogP of 0.34, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 80852385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).