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

C16H27N7O2 — CID 2173759

IUPAC6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H27N7O2/c1-2-3-17-14-19-15(18-4-5-22-6-10-24-11-7-22)21-16(20-14)23-8-12-25-13-9-23/h2H,1,3-13H2,(H2,17,18,19,20,21)
InChIKeyDACGMYDSHIZEQP-UHFFFAOYSA-N
MW349.44 g/mol
LogP0.05
Rot. Bonds8

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

6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 2173759) has the molecular formula C16H27N7O2 and a molecular weight of 349.44 g/mol. Its IUPAC name is 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID2173759
Molecular FormulaC16H27N7O2
Molecular Weight349.44 g/mol
Exact Mass349.22
IUPAC Name6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1
InChIInChI=1S/C16H27N7O2/c1-2-3-17-14-19-15(18-4-5-22-6-10-24-11-7-22)21-16(20-14)23-8-12-25-13-9-23/h2H,1,3-13H2,(H2,17,18,19,20,21)
InChIKeyDACGMYDSHIZEQP-UHFFFAOYSA-N
XLogP0.05
TPSA87.67 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Launch Full Analysis

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
N-Allyl-6-methoxy-N'-(2-morpholin-4-yl-ethyl)-[1,3,5]triazine-2,4-diamine
CID 644524
4-chloro-6-(4-morpholinyl)-N-[2-(4-morpholinyl)ethyl]-1,3,5-triazin-2-amine
CID 872540
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-(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4-diamine
CID 117084354
2-N,2-N-diethyl-4-N,6-N-bis(2-morpholin-4-ylethyl)-1,3,5-triazine-2,4,6-triamine
CID 117093470
1,3,5-Triazine, 2-methoxy-4,6-bis[2-(4-morpholino)ethylamino]-
CID 568013
6-morpholin-4-yl-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 7589342
4,6-dimorpholin-4-yl-N-prop-2-enyl-1,3,5-triazin-2-amine;hydrochloride
CID 20994605
4-Morpholin-4-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 57957045
N-methyl-4-morpholin-4-yl-6-piperazin-1-yl-1,3,5-triazin-2-amine
CID 68234297

Frequently Asked Questions

What is the IUPAC name of 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 2173759) is 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCCN2CCOCC2)nc(N2CCOCC2)n1.
What is the InChIKey of 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DACGMYDSHIZEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N7O2/c1-2-3-17-14-19-15(18-4-5-22-6-10-24-11-7-22)21-16(20-14)23-8-12-25-13-9-23/h2H,1,3-13H2,(H2,17,18,19,20,21).
What are the key properties of 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 349.44 g/mol, XLogP of 0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-morpholin-4-yl-4-N-(2-morpholin-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 2173759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).