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

C12H24N6O — CID 80851943

IUPAC3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-5-9(6-7-19)8-14-11-15-10(13-2)16-12(17-11)18(3)4/h9,19H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyCEWBDEUBGQWVOR-UHFFFAOYSA-N
MW268.36 g/mol
LogP0.80
Rot. Bonds8

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

3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (PubChem CID 80851943) has the molecular formula C12H24N6O and a molecular weight of 268.36 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
PubChem CID80851943
Molecular FormulaC12H24N6O
Molecular Weight268.36 g/mol
Exact Mass268.20
IUPAC Name3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCC(CCO)CNc1nc(NC)nc(N(C)C)n1
InChIInChI=1S/C12H24N6O/c1-5-9(6-7-19)8-14-11-15-10(13-2)16-12(17-11)18(3)4/h9,19H,5-8H2,1-4H3,(H2,13,14,15,16,17)
InChIKeyCEWBDEUBGQWVOR-UHFFFAOYSA-N
XLogP0.80
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 50.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (CID 80851943) is 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is CCC(CCO)CNc1nc(NC)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The InChIKey is CEWBDEUBGQWVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24N6O/c1-5-9(6-7-19)8-14-11-15-10(13-2)16-12(17-11)18(3)4/h9,19H,5-8H2,1-4H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol has a molecular weight of 268.36 g/mol, XLogP of 0.80, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 80851943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).