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

C13H26N6O — CID 80852531

IUPAC3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCNc1nc(NCC(CC)CCO)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-5-10(7-8-20)9-15-12-16-11(14-6-2)17-13(18-12)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyUHSVHIMKOBYBDQ-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.19
Rot. Bonds9

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

3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (PubChem CID 80852531) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
PubChem CID80852531
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol
SMILESCCNc1nc(NCC(CC)CCO)nc(N(C)C)n1
InChIInChI=1S/C13H26N6O/c1-5-10(7-8-20)9-15-12-16-11(14-6-2)17-13(18-12)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18)
InChIKeyUHSVHIMKOBYBDQ-UHFFFAOYSA-N
XLogP1.19
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.19
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-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The IUPAC name of 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol (CID 80852531) is 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is CCNc1nc(NCC(CC)CCO)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
The InChIKey is UHSVHIMKOBYBDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-5-10(7-8-20)9-15-12-16-11(14-6-2)17-13(18-12)19(3)4/h10,20H,5-9H2,1-4H3,(H2,14,15,16,17,18).
What are the key properties of 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol?
3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol has a molecular weight of 282.39 g/mol, XLogP of 1.19, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]pentan-1-ol is sourced from PubChem (CID 80852531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).