(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

C22H23N5O4 — CID 7593860

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H23N5O4/c1-3-7-15-10-11-17(18(12-15)29-2)30-14-20(28)31-13-19-25-21(23)27-22(26-19)24-16-8-5-4-6-9-16/h3-12H,13-14H2,1-2H3,(H3,23,24,25,26,27)/b7-3+
InChIKeyUZHJPKCGQNKGPL-XVNBXDOJSA-N
MW421.46 g/mol
LogP3.36
Rot. Bonds9

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (PubChem CID 7593860) has the molecular formula C22H23N5O4 and a molecular weight of 421.46 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
PubChem CID7593860
Molecular FormulaC22H23N5O4
Molecular Weight421.46 g/mol
Exact Mass421.18
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
SMILESC/C=C/c1ccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c(OC)c1
InChIInChI=1S/C22H23N5O4/c1-3-7-15-10-11-17(18(12-15)29-2)30-14-20(28)31-13-19-25-21(23)27-22(26-19)24-16-8-5-4-6-9-16/h3-12H,13-14H2,1-2H3,(H3,23,24,25,26,27)/b7-3+
InChIKeyUZHJPKCGQNKGPL-XVNBXDOJSA-N
XLogP3.36
TPSA121.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.46
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate with MolForge

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Related Compounds

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-ethoxy-3-methoxybenzoate
CID 7778835
(3-methyl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 31056787
(2-benzamido-2-oxoethyl) 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 8527714
(2-cyanophenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7571220
(3-methyl-1,2-oxazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 39603297
2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]-N-[4-(phenylcarbamoylamino)phenyl]acetamide
CID 18279710
(3-fluoro-4-methoxyphenyl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907826
(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 29498043
[2-(4-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907929
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-methoxyacetate
CID 7631048
[2-(2-chloroanilino)-2-oxoethyl] 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7907900
[2-[2-(2-methylanilino)-2-oxoethyl]-1,3-thiazol-4-yl]methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 24817952

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate (CID 7593860) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is C/C=C/c1ccc(OCC(=O)OCc2nc(N)nc(Nc3ccccc3)n2)c(OC)c1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
The InChIKey is UZHJPKCGQNKGPL-XVNBXDOJSA-N. The full InChI is InChI=1S/C22H23N5O4/c1-3-7-15-10-11-17(18(12-15)29-2)30-14-20(28)31-13-19-25-21(23)27-22(26-19)24-16-8-5-4-6-9-16/h3-12H,13-14H2,1-2H3,(H3,23,24,25,26,27)/b7-3+.
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate has a molecular weight of 421.46 g/mol, XLogP of 3.36, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate is sourced from PubChem (CID 7593860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).