4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C12H20N6O — CID 2295099

IUPAC4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O/c1-3-5-14-11-15-10(13-4-2)16-12(17-11)18-6-8-19-9-7-18/h3H,1,4-9H2,2H3,(H2,13,14,15,16,17)
InChIKeyJOZPDMBTRZKGDT-UHFFFAOYSA-N
MW264.33 g/mol
LogP0.74
Rot. Bonds6

About 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 2295099) has the molecular formula C12H20N6O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID2295099
Molecular FormulaC12H20N6O
Molecular Weight264.33 g/mol
Exact Mass264.17
IUPAC Name4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H20N6O/c1-3-5-14-11-15-10(13-4-2)16-12(17-11)18-6-8-19-9-7-18/h3H,1,4-9H2,2H3,(H2,13,14,15,16,17)
InChIKeyJOZPDMBTRZKGDT-UHFFFAOYSA-N
XLogP0.74
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

1,3,5-Triazine, 2-allylamino-4,6-bis(4-morpholyl)-
CID 627850
s-Triazine, 2,4-bis(methylamino)-6-morpholino-
CID 204412
N-allyl-6-(4-morpholinyl)-N'-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 2173759
s-Triazine, 2,4-bis(methylamino)-6-morpholino-, hydrochloride
CID 204413
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
4-(allyloxy)-N,N-dimethyl-6-(4-morpholinyl)-1,3,5-triazin-2-amine
CID 2187729
Ethyl[4-(ethylamino)-6-(4-morpholinyl)-1,3,5-triazin-2-yl]cyanamide
CID 2986617
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-ethoxy-6-dimethylamino-
CID 602118
1,3,5-Triazine, 2-ethylamino-4-isopropylamino-6-(4-morpholyl)-
CID 622318
6-morpholin-4-yl-2-N,4-N-dipropyl-1,3,5-triazine-2,4-diamine
CID 4575981
1,3,5-Triazine, 2-allylamino-4-tert-butylamino-6-(4-morpholyl)-
CID 623998

Frequently Asked Questions

What is the IUPAC name of 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 2295099) is 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JOZPDMBTRZKGDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N6O/c1-3-5-14-11-15-10(13-4-2)16-12(17-11)18-6-8-19-9-7-18/h3H,1,4-9H2,2H3,(H2,13,14,15,16,17).
What are the key properties of 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 264.33 g/mol, XLogP of 0.74, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-ethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2295099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).