6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C13H23N6O2+ — CID 7120384

IUPAC6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC[NH+]2CCOCC2)nc(OC)n1
InChIInChI=1S/C13H22N6O2/c1-3-4-14-11-16-12(18-13(17-11)20-2)15-5-6-19-7-9-21-10-8-19/h3H,1,4-10H2,2H3,(H2,14,15,16,17,18)/p+1
InChIKeyJVQFUYKUJPSVSH-UHFFFAOYSA-O
MW295.37 g/mol
LogP-1.19
Rot. Bonds8

About 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 7120384) has the molecular formula C13H23N6O2+ and a molecular weight of 295.37 g/mol. Its IUPAC name is 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID7120384
Molecular FormulaC13H23N6O2+
Molecular Weight295.37 g/mol
Exact Mass295.19
IUPAC Name6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC[NH+]2CCOCC2)nc(OC)n1
InChIInChI=1S/C13H22N6O2/c1-3-4-14-11-16-12(18-13(17-11)20-2)15-5-6-19-7-9-21-10-8-19/h3H,1,4-10H2,2H3,(H2,14,15,16,17,18)/p+1
InChIKeyJVQFUYKUJPSVSH-UHFFFAOYSA-O
XLogP-1.19
TPSA85.63 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.37
LogP ≤ 5-1.19
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-allyl-N'-ethyl-6-(4-morpholinyl)-1,3,5-triazine-2,4-diamine
CID 2295099
1,3,5-Triazine, 2-allylamino-4,6-bis(4-morpholyl)-
CID 627850
6-Ethoxy-N-isopropyl-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 767097
6-Chloro-N4-[2-(morpholin-4-YL)ethyl]-N2,N2-dipropyl-1,3,5-triazine-2,4-diamine
CID 783135
N-allyl-6-(4-morpholinyl)-N'-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 2173759
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
4-[(1,1,1,3,3,3-hexafluoropropan-2-yl)oxy]-6-(morpholin-4-yl)-N-(prop-2-en-1-yl)-1,3,5-triazin-2-amine
CID 2827457
1,3,5-Triazine, 2-allylamino-4-tert-butylamino-6-(4-morpholyl)-
CID 623998
4,6-dimethoxy-N-[2-(4-morpholinyl)ethyl]-1,3,5-triazin-2-amine
CID 670835
6-chloro-N2-ethyl-N4-(2-morpholinoethyl)-1,3,5-triazine-2,4-diamine
CID 685520
6-chloro-2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 62870409
2-N,2-N-diethyl-4-N-(2-morpholin-4-ylethyl)-6-N-propyl-1,3,5-triazine-2,4,6-triamine
CID 117092417

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 7120384) is 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC[NH+]2CCOCC2)nc(OC)n1.
What is the InChIKey of 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JVQFUYKUJPSVSH-UHFFFAOYSA-O. The full InChI is InChI=1S/C13H22N6O2/c1-3-4-14-11-16-12(18-13(17-11)20-2)15-5-6-19-7-9-21-10-8-19/h3H,1,4-10H2,2H3,(H2,14,15,16,17,18)/p+1.
What are the key properties of 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 295.37 g/mol, XLogP of -1.19, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7120384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).