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

C12H22N6O2 — CID 106103384

IUPAC3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
SMILESCCNc1nc(NCC2(O)CCOC2)nc(N(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-4-13-9-15-10(17-11(16-9)18(2)3)14-7-12(19)5-6-20-8-12/h19H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyPNUIIEOSYDDBFW-UHFFFAOYSA-N
MW282.35 g/mol
LogP-0.07
Rot. Bonds6

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

3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol (PubChem CID 106103384) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
PubChem CID106103384
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC Name3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol
SMILESCCNc1nc(NCC2(O)CCOC2)nc(N(C)C)n1
InChIInChI=1S/C12H22N6O2/c1-4-13-9-15-10(17-11(16-9)18(2)3)14-7-12(19)5-6-20-8-12/h19H,4-8H2,1-3H3,(H2,13,14,15,16,17)
InChIKeyPNUIIEOSYDDBFW-UHFFFAOYSA-N
XLogP-0.07
TPSA95.43 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 5-0.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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Related Compounds

3-[[(5,6-dimethyl-1,2,4-triazin-3-yl)amino]methyl]oxolan-3-ol
CID 104925043
3-[[[2-(ethylamino)-5-fluoropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 114143772
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]cyclopentan-1-ol
CID 80915853
4-[[[4-amino-6-(diethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxan-4-ol
CID 81133323
3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102101
1-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]amino]methyl]cycloheptan-1-ol
CID 80843227
6-chloro-4-N-[(3-methoxyoxolan-3-yl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 104764589
6-(2,2-dimethylhydrazinyl)-2-N-ethyl-4-N,4-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 83027111
6-[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]hexan-1-ol
CID 107855279
4-N-[3-(dimethylamino)propyl]-6-N-ethyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 80776969
1-[[[4-(dimethylamino)-6-hydrazinyl-1,3,5-triazin-2-yl]amino]methyl]-3-methylcyclohexan-1-ol
CID 80909785
3-[[(6-hydrazinyl-2-propylpyrimidin-4-yl)amino]methyl]oxolan-3-ol
CID 106103610

Frequently Asked Questions

What is the IUPAC name of 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol?
The IUPAC name of 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol (CID 106103384) is 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol.
What is the SMILES notation for 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol?
The canonical SMILES for 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol is CCNc1nc(NCC2(O)CCOC2)nc(N(C)C)n1.
What is the InChIKey of 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol?
The InChIKey is PNUIIEOSYDDBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-4-13-9-15-10(17-11(16-9)18(2)3)14-7-12(19)5-6-20-8-12/h19H,4-8H2,1-3H3,(H2,13,14,15,16,17).
What are the key properties of 3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol?
3-[[[4-(dimethylamino)-6-(ethylamino)-1,3,5-triazin-2-yl]amino]methyl]oxolan-3-ol has a molecular weight of 282.35 g/mol, XLogP of -0.07, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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]oxolan-3-ol is sourced from PubChem (CID 106103384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).