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

C18H15Cl2N5O2 — CID 7593484

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate
SMILESNc1nc(COC(=O)Cc2ccc(Cl)c(Cl)c2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H15Cl2N5O2/c19-13-7-6-11(8-14(13)20)9-16(26)27-10-15-23-17(21)25-18(24-15)22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H3,21,22,23,24,25)
InChIKeyMFPOBNWJDQRQBI-UHFFFAOYSA-N
MW404.26 g/mol
LogP3.79
Rot. Bonds6

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

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate (PubChem CID 7593484) has the molecular formula C18H15Cl2N5O2 and a molecular weight of 404.26 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate
PubChem CID7593484
Molecular FormulaC18H15Cl2N5O2
Molecular Weight404.26 g/mol
Exact Mass403.06
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate
SMILESNc1nc(COC(=O)Cc2ccc(Cl)c(Cl)c2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H15Cl2N5O2/c19-13-7-6-11(8-14(13)20)9-16(26)27-10-15-23-17(21)25-18(24-15)22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H3,21,22,23,24,25)
InChIKeyMFPOBNWJDQRQBI-UHFFFAOYSA-N
XLogP3.79
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.26
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
CID 7593564
[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 32935322
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4,5-dichloro-1-methylpyrrole-2-carboxylate
CID 25349202
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(1H-indol-3-yl)acetate
CID 7593328
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7593898
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenoxy)acetate
CID 7593801
[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-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetate
CID 55402885
[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methoxyphenyl)acetate
CID 8792735
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3,4-dimethoxyphenyl)acetate
CID 7669424
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-iodobenzoate
CID 28559006
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-methylbenzoate
CID 7778559

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate (CID 7593484) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate is Nc1nc(COC(=O)Cc2ccc(Cl)c(Cl)c2)nc(Nc2ccccc2)n1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate?
The InChIKey is MFPOBNWJDQRQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O2/c19-13-7-6-11(8-14(13)20)9-16(26)27-10-15-23-17(21)25-18(24-15)22-12-4-2-1-3-5-12/h1-8H,9-10H2,(H3,21,22,23,24,25).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate has a molecular weight of 404.26 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 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-(3,4-dichlorophenyl)acetate is sourced from PubChem (CID 7593484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).