6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

C11H19N5O2 — CID 80771271

IUPAC6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCC2CCCO2)n1
InChIInChI=1S/C11H19N5O2/c1-3-17-11-15-9(12-2)14-10(16-11)13-7-8-5-4-6-18-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyVTECLOWQQMKCCN-UHFFFAOYSA-N
MW253.31 g/mol
LogP0.90
Rot. Bonds6

About 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine

6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 80771271) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID80771271
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCCOc1nc(NC)nc(NCC2CCCO2)n1
InChIInChI=1S/C11H19N5O2/c1-3-17-11-15-9(12-2)14-10(16-11)13-7-8-5-4-6-18-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16)
InChIKeyVTECLOWQQMKCCN-UHFFFAOYSA-N
XLogP0.90
TPSA81.19 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethoxy-4-N-methyl-2-N-[2-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80812130
6-ethoxy-2-N-[(4-ethylmorpholin-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114401465
6-ethoxy-4-N-methyl-2-N-[(2-methylcyclohexyl)methyl]-1,3,5-triazine-2,4-diamine
CID 80815043
2-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]cyclohexan-1-ol
CID 80840993
2-N-(2-cyclopentyloxyethyl)-6-ethoxy-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 80846117
2-N,2-N,4-N-trimethyl-6-(oxolan-2-ylmethoxy)-1,3,5-triazine-2,4-diamine
CID 80860494
6-ethoxy-4-N-ethyl-2-N-(oxan-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814333
6-ethoxy-4-N-ethyl-2-N-[1-(oxolan-2-yl)ethyl]-1,3,5-triazine-2,4-diamine
CID 80782108
6-imidazol-1-yl-4-N-methyl-2-N-(oxan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80791148
3-[[[4-ethoxy-6-(methylamino)-1,3,5-triazin-2-yl]amino]methyl]-2-methyloxolan-3-ol
CID 106103524
4,6-dichloro-N-[[(2S)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 124585342
2-N-(cyclohexylmethyl)-6-ethoxy-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80771500

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine (CID 80771271) is 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is CCOc1nc(NC)nc(NCC2CCCO2)n1.
What is the InChIKey of 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VTECLOWQQMKCCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-17-11-15-9(12-2)14-10(16-11)13-7-8-5-4-6-18-8/h8H,3-7H2,1-2H3,(H2,12,13,14,15,16).
What are the key properties of 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine?
6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 253.31 g/mol, XLogP of 0.90, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-4-N-methyl-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80771271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).