(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate

C18H17N5O3 — CID 28579583

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)o1
InChIInChI=1S/C18H17N5O3/c1-12-7-8-14(26-12)9-10-16(24)25-11-15-21-17(19)23-18(22-15)20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,19,20,21,22,23)/b10-9+
InChIKeyURYXXFFTHWNZCF-MDZDMXLPSA-N
MW351.37 g/mol
LogP2.86
Rot. Bonds6

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate (PubChem CID 28579583) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
PubChem CID28579583
Molecular FormulaC18H17N5O3
Molecular Weight351.37 g/mol
Exact Mass351.13
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
SMILESCc1ccc(/C=C/C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)o1
InChIInChI=1S/C18H17N5O3/c1-12-7-8-14(26-12)9-10-16(24)25-11-15-21-17(19)23-18(22-15)20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,19,20,21,22,23)/b10-9+
InChIKeyURYXXFFTHWNZCF-MDZDMXLPSA-N
XLogP2.86
TPSA116.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.37
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate with MolForge

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Launch Full Analysis

Related Compounds

[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate
CID 27239964
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylbenzoate
CID 7778559
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(3-methoxyphenyl)prop-2-enoate
CID 7631067
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl (E)-but-2-enoate
CID 7663688
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 5-methylfuran-2-carboxylate
CID 17420405
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl (2E,4E)-hexa-2,4-dienoate
CID 24562668
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7593439
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenoxy)acetate
CID 7593801
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl hexa-2,4-dienoate
CID 71954066
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl (E)-3-(2,4-dimethoxyphenyl)prop-2-enoate
CID 27213652
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate
CID 46821928

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate (CID 28579583) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate is Cc1ccc(/C=C/C(=O)OCc2nc(N)nc(Nc3ccccc3)n2)o1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
The InChIKey is URYXXFFTHWNZCF-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H17N5O3/c1-12-7-8-14(26-12)9-10-16(24)25-11-15-21-17(19)23-18(22-15)20-13-5-3-2-4-6-13/h2-10H,11H2,1H3,(H3,19,20,21,22,23)/b10-9+.
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate has a molecular weight of 351.37 g/mol, XLogP of 2.86, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl (E)-3-(5-methylfuran-2-yl)prop-2-enoate is sourced from PubChem (CID 28579583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).