4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

C12H21N5O2 — CID 80860229

IUPAC4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC2CCCO2)nc(N(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-4-13-10-14-11(17(2)3)16-12(15-10)19-8-9-6-5-7-18-9/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyJGXBYYXWNIHMLK-UHFFFAOYSA-N
MW267.33 g/mol
LogP0.93
Rot. Bonds6

About 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine

4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (PubChem CID 80860229) has the molecular formula C12H21N5O2 and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
PubChem CID80860229
Molecular FormulaC12H21N5O2
Molecular Weight267.33 g/mol
Exact Mass267.17
IUPAC Name4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
SMILESCCNc1nc(OCC2CCCO2)nc(N(C)C)n1
InChIInChI=1S/C12H21N5O2/c1-4-13-10-14-11(17(2)3)16-12(15-10)19-8-9-6-5-7-18-9/h9H,4-8H2,1-3H3,(H,13,14,15,16)
InChIKeyJGXBYYXWNIHMLK-UHFFFAOYSA-N
XLogP0.93
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80860494
2-N,4-N-diethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799363
6-(oxolan-2-ylmethoxy)-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 23009045
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80771271
4-(cyclohexylmethoxy)-6-hydrazinyl-N,N-dimethyl-1,3,5-triazin-2-amine
CID 80925868
N-ethyl-6-(oxolan-2-ylmethoxy)pyrazin-2-amine
CID 80860142
4-N-ethyl-2-N-methyl-2-N-(oxolan-3-yl)-6-propoxy-1,3,5-triazine-2,4-diamine
CID 82745449
6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782108
N,5-diethyl-6-(oxolan-2-ylmethoxy)pyrimidin-4-amine
CID 80860410
N,6-diethyl-5-iodo-2-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 66301056
2-N-(cyclopropylmethyl)-6-N-ethyl-2-N,4-N,4-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80797993

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine (CID 80860229) is 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is CCNc1nc(OCC2CCCO2)nc(N(C)C)n1.
What is the InChIKey of 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
The InChIKey is JGXBYYXWNIHMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O2/c1-4-13-10-14-11(17(2)3)16-12(15-10)19-8-9-6-5-7-18-9/h9H,4-8H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine?
4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine has a molecular weight of 267.33 g/mol, XLogP of 0.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-2-N,2-N-dimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80860229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).