(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate

C20H18N6O2 — CID 7593328

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate
SMILESNc1nc(COC(=O)Cc2c[nH]c3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H18N6O2/c21-19-24-17(25-20(26-19)23-14-6-2-1-3-7-14)12-28-18(27)10-13-11-22-16-9-5-4-8-15(13)16/h1-9,11,22H,10,12H2,(H3,21,23,24,25,26)
InChIKeyPSSHDQKKZBBUBO-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.96
Rot. Bonds6

About (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate (PubChem CID 7593328) has the molecular formula C20H18N6O2 and a molecular weight of 374.40 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate
PubChem CID7593328
Molecular FormulaC20H18N6O2
Molecular Weight374.40 g/mol
Exact Mass374.15
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate
SMILESNc1nc(COC(=O)Cc2c[nH]c3ccccc23)nc(Nc2ccccc2)n1
InChIInChI=1S/C20H18N6O2/c21-19-24-17(25-20(26-19)23-14-6-2-1-3-7-14)12-28-18(27)10-13-11-22-16-9-5-4-8-15(13)16/h1-9,11,22H,10,12H2,(H3,21,23,24,25,26)
InChIKeyPSSHDQKKZBBUBO-UHFFFAOYSA-N
XLogP2.96
TPSA118.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.96
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate with MolForge

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Related Compounds

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl naphthalene-1-carboxylate
CID 7593681
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-(1,2-benzoxazol-3-yl)acetate
CID 9473466
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2-[(2-phenylacetyl)amino]acetate
CID 27263523
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-iodobenzoate
CID 46821928
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 7593564
(2-anilino-2-oxoethyl) 2-(1H-indol-3-yl)acetate
CID 2389061
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7593898
(2-fluorophenyl)methyl 2-(1H-indol-3-yl)acetate
CID 7665649
1,3-benzoxazol-2-ylmethyl 2-(1H-indol-3-yl)acetate
CID 40735475
[4-amino-6-(4-fluoroanilino)-1,3,5-triazin-2-yl]methyl 2,4-dimethylquinoline-3-carboxylate
CID 46642179
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanoate
CID 31659870
prop-2-enyl 2-(1H-indol-3-yl)acetate
CID 14701449

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate (CID 7593328) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate is Nc1nc(COC(=O)Cc2c[nH]c3ccccc23)nc(Nc2ccccc2)n1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate?
The InChIKey is PSSHDQKKZBBUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N6O2/c21-19-24-17(25-20(26-19)23-14-6-2-1-3-7-14)12-28-18(27)10-13-11-22-16-9-5-4-8-15(13)16/h1-9,11,22H,10,12H2,(H3,21,23,24,25,26).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate has a molecular weight of 374.40 g/mol, XLogP of 2.96, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate is sourced from PubChem (CID 7593328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).