6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine

C13H20N6O — CID 7589342

IUPAC6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O/c1-3-5-14-11-16-12(15-6-4-2)18-13(17-11)19-7-9-20-10-8-19/h3-4H,1-2,5-10H2,(H2,14,15,16,17,18)
InChIKeyUKTUBKLVHVEWKH-UHFFFAOYSA-N
MW276.34 g/mol
LogP0.90
Rot. Bonds7

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

6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (PubChem CID 7589342) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
PubChem CID7589342
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC Name6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCC=C)nc(N2CCOCC2)n1
InChIInChI=1S/C13H20N6O/c1-3-5-14-11-16-12(15-6-4-2)18-13(17-11)19-7-9-20-10-8-19/h3-4H,1-2,5-10H2,(H2,14,15,16,17,18)
InChIKeyUKTUBKLVHVEWKH-UHFFFAOYSA-N
XLogP0.90
TPSA75.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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

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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
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
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
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
4-N,4-N-diethyl-6-morpholin-4-yl-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 80751252

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine (CID 7589342) is 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCC=C)nc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UKTUBKLVHVEWKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-3-5-14-11-16-12(15-6-4-2)18-13(17-11)19-7-9-20-10-8-19/h3-4H,1-2,5-10H2,(H2,14,15,16,17,18).
What are the key properties of 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 276.34 g/mol, XLogP of 0.90, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 7589342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).