2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

C13H26N6O — CID 102998962

IUPAC2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CCCN(CC)c1nc(N)nc(OC)n1
InChIInChI=1S/C13H26N6O/c1-5-18(6-2)9-8-10-19(7-3)12-15-11(14)16-13(17-12)20-4/h5-10H2,1-4H3,(H2,14,15,16,17)
InChIKeyZKOYNNNGIUYZGT-UHFFFAOYSA-N
MW282.39 g/mol
LogP1.02
Rot. Bonds9

About 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine

2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (PubChem CID 102998962) has the molecular formula C13H26N6O and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
PubChem CID102998962
Molecular FormulaC13H26N6O
Molecular Weight282.39 g/mol
Exact Mass282.22
IUPAC Name2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)CCCN(CC)c1nc(N)nc(OC)n1
InChIInChI=1S/C13H26N6O/c1-5-18(6-2)9-8-10-19(7-3)12-15-11(14)16-13(17-12)20-4/h5-10H2,1-4H3,(H2,14,15,16,17)
InChIKeyZKOYNNNGIUYZGT-UHFFFAOYSA-N
XLogP1.02
TPSA80.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

2-N-ethyl-6-methoxy-2-N-(2-methylbutyl)-1,3,5-triazine-2,4-diamine
CID 80849720
2-N-(cyclobutylmethyl)-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 107403037
2-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)-ethylamino]-N-propan-2-ylacetamide
CID 80804764
2-N,2-N-diethyl-6-(3-methoxypropoxy)-1,3,5-triazine-2,4-diamine
CID 80865247
4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4,6-triamine
CID 102998945
6-methoxy-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
CID 793255
2-N-ethyl-2-N-(2-methoxyethyl)-6-propyl-1,3,5-triazine-2,4-diamine
CID 112746069
2-N-ethyl-6-methoxy-2-N-(oxolan-2-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80799814
4-N-[3-(diethylamino)propyl]-4-N-ethyl-5-methylpyrimidine-2,4-diamine
CID 102998979
2-N,2-N-diethyl-6-(2-methylbutan-2-yloxy)-1,3,5-triazine-2,4-diamine
CID 80862184
5-bromo-4-N-[3-(diethylamino)propyl]-4-N-ethylpyrimidine-2,4-diamine
CID 102998924
2-N-(2-ethoxyethyl)-2-N,4-N,4-N-triethyl-1,3,5-triazine-2,4,6-triamine
CID 80833994

Frequently Asked Questions

What is the IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine (CID 102998962) is 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is CCN(CC)CCCN(CC)c1nc(N)nc(OC)n1.
What is the InChIKey of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
The InChIKey is ZKOYNNNGIUYZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N6O/c1-5-18(6-2)9-8-10-19(7-3)12-15-11(14)16-13(17-12)20-4/h5-10H2,1-4H3,(H2,14,15,16,17).
What are the key properties of 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine?
2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine has a molecular weight of 282.39 g/mol, XLogP of 1.02, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[3-(diethylamino)propyl]-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 102998962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).