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

C13H24N6O2 — CID 81133323

IUPAC4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
SMILESCCN(CC)c1nc(N)nc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C13H24N6O2/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)5-7-21-8-6-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyJKDFQYXSFYCZJH-UHFFFAOYSA-N
MW296.38 g/mol
LogP0.25
Rot. Bonds6

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

4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (PubChem CID 81133323) has the molecular formula C13H24N6O2 and a molecular weight of 296.38 g/mol. Its IUPAC name is 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
PubChem CID81133323
Molecular FormulaC13H24N6O2
Molecular Weight296.38 g/mol
Exact Mass296.20
IUPAC Name4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
SMILESCCN(CC)c1nc(N)nc(NCC2(O)CCOCC2)n1
InChIInChI=1S/C13H24N6O2/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)5-7-21-8-6-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18)
InChIKeyJKDFQYXSFYCZJH-UHFFFAOYSA-N
XLogP0.25
TPSA109.42 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.38
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
2-N,2-N-diethyl-4-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 80765267
3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
CID 106103384
4-N-[2-(dimethylamino)ethyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80769996
2-N,2-N-diethyl-4-N-(2-methylbutyl)-1,3,5-triazine-2,4,6-triamine
CID 80833177
N-[2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethyl]acetamide
CID 80788576
4-N-[3-(dimethylamino)propyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80778165
5-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]pentanamide
CID 106241608
1-[[(4-amino-6-chloro-1,3,5-triazin-2-yl)amino]methyl]cyclopentan-1-ol
CID 80843196
2-[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]ethanesulfonamide
CID 80788682
4-N-[(4,5-dimethylthiophen-2-yl)methyl]-2-N,2-N-diethyl-1,3,5-triazine-2,4,6-triamine
CID 80829137
4-[[(2-amino-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]oxan-4-ol
CID 103329216

Frequently Asked Questions

What is the IUPAC name of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol (CID 81133323) is 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is CCN(CC)c1nc(N)nc(NCC2(O)CCOCC2)n1.
What is the InChIKey of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
The InChIKey is JKDFQYXSFYCZJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N6O2/c1-3-19(4-2)12-17-10(14)16-11(18-12)15-9-13(20)5-7-21-8-6-13/h20H,3-9H2,1-2H3,(H3,14,15,16,17,18).
What are the key properties of 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol?
4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol has a molecular weight of 296.38 g/mol, XLogP of 0.25, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 81133323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).