4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C12H19N5O2 — CID 80860968

IUPAC4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N5O2/c1-3-4-7-19-12-15-10(13-2)14-11(16-12)17-5-8-18-9-6-17/h3H,1,4-9H2,2H3,(H,13,14,15,16)
InChIKeyUEOBQSPPMQTXIW-UHFFFAOYSA-N
MW265.32 g/mol
LogP0.70
Rot. Bonds6

About 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 80860968) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID80860968
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESC=CCCOc1nc(NC)nc(N2CCOCC2)n1
InChIInChI=1S/C12H19N5O2/c1-3-4-7-19-12-15-10(13-2)14-11(16-12)17-5-8-18-9-6-17/h3H,1,4-9H2,2H3,(H,13,14,15,16)
InChIKeyUEOBQSPPMQTXIW-UHFFFAOYSA-N
XLogP0.70
TPSA72.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-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
1,3,5-Triazine, 2-allylamino-4-tert-butylamino-6-(4-morpholyl)-
CID 623998
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-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]morpholine
CID 68149051
4-[4,6-Bis(prop-2-enoxy)-1,3,5-triazin-2-yl]-4-methylmorpholin-4-ium
CID 117995512
4-N,4-N-dimethyl-6-morpholin-4-yl-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 4377033
6-morpholin-4-yl-2-N-propan-2-yl-4-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 6488389
6-methoxy-4-N-(2-morpholin-4-ium-4-ylethyl)-2-N-prop-2-enyl-1,3,5-triazine-2,4-diamine
CID 7120384

Frequently Asked Questions

What is the IUPAC name of 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 80860968) is 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is C=CCCOc1nc(NC)nc(N2CCOCC2)n1.
What is the InChIKey of 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is UEOBQSPPMQTXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-3-4-7-19-12-15-10(13-2)14-11(16-12)17-5-8-18-9-6-17/h3H,1,4-9H2,2H3,(H,13,14,15,16).
What are the key properties of 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 265.32 g/mol, XLogP of 0.70, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enoxy-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 80860968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).