4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

C16H29N7O3 — CID 23900905

IUPAC4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C16H29N7O3/c1-2-4-18-14-20-15(19-5-9-25-13-12-24-8-3-17)22-16(21-14)23-6-10-26-11-7-23/h2H,1,3-13,17H2,(H2,18,19,20,21,22)
InChIKeyGZTHIWNFZXAGSB-UHFFFAOYSA-N
MW367.45 g/mol
LogP-0.29
Rot. Bonds13

About 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine

4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (PubChem CID 23900905) has the molecular formula C16H29N7O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
PubChem CID23900905
Molecular FormulaC16H29N7O3
Molecular Weight367.45 g/mol
Exact Mass367.23
IUPAC Name4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
SMILESC=CCNc1nc(NCCOCCOCCN)nc(N2CCOCC2)n1
InChIInChI=1S/C16H29N7O3/c1-2-4-18-14-20-15(19-5-9-25-13-12-24-8-3-17)22-16(21-14)23-6-10-26-11-7-23/h2H,1,3-13,17H2,(H2,18,19,20,21,22)
InChIKeyGZTHIWNFZXAGSB-UHFFFAOYSA-N
XLogP-0.29
TPSA119.68 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 5-0.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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
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
1,3,5-Triazine, 2-allylamino-4-cyclohexyloxy-6-(4-morpholyl)-
CID 535413
6-(morpholin-4-yl)-N,N'-di(prop-2-en-1-yl)-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
6-(3-ethoxypiperidin-1-yl)-2-N,4-N-bis(prop-2-enyl)-1,3,5-triazine-2,4-diamine
CID 56627462
4-N-(2-morpholin-4-ium-4-ylethyl)-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 2173758
N~2~-allyl-6-chloro-N~4~-[2-(4-morpholinyl)ethyl]-1,3,5-triazine-2,4-diamine
CID 3688037

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine (CID 23900905) is 4-N-[2-[2-(2-aminoethoxy)ethoxy]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-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is C=CCNc1nc(NCCOCCOCCN)nc(N2CCOCC2)n1.
What is the InChIKey of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
The InChIKey is GZTHIWNFZXAGSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N7O3/c1-2-4-18-14-20-15(19-5-9-25-13-12-24-8-3-17)22-16(21-14)23-6-10-26-11-7-23/h2H,1,3-13,17H2,(H2,18,19,20,21,22).
What are the key properties of 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine?
4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine has a molecular weight of 367.45 g/mol, XLogP of -0.29, 13 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 23900905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).