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

C18H16ClN5O3 — CID 7593564

IUPAC(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESNc1nc(COC(=O)COc2ccc(Cl)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H16ClN5O3/c19-12-6-8-14(9-7-12)26-11-16(25)27-10-15-22-17(20)24-18(23-15)21-13-4-2-1-3-5-13/h1-9H,10-11H2,(H3,20,21,22,23,24)
InChIKeyRSCNFRNKSZJQTH-UHFFFAOYSA-N
MW385.81 g/mol
LogP2.97
Rot. Bonds7

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

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate (PubChem CID 7593564) has the molecular formula C18H16ClN5O3 and a molecular weight of 385.81 g/mol. Its IUPAC name is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate.

Molecular Properties

Compound Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
PubChem CID7593564
Molecular FormulaC18H16ClN5O3
Molecular Weight385.81 g/mol
Exact Mass385.09
IUPAC Name(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate
SMILESNc1nc(COC(=O)COc2ccc(Cl)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H16ClN5O3/c19-12-6-8-14(9-7-12)26-11-16(25)27-10-15-22-17(20)24-18(23-15)21-13-4-2-1-3-5-13/h1-9H,10-11H2,(H3,20,21,22,23,24)
InChIKeyRSCNFRNKSZJQTH-UHFFFAOYSA-N
XLogP2.97
TPSA112.25 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.81
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-ethoxyphenoxy)acetate
CID 7593801
(4,6-diamino-1,3,5-triazin-2-yl)methyl 2-phenoxyacetate
CID 9416576
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)-2-methylpropanoate
CID 7593439
[4-amino-6-(4-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(4-ethylphenoxy)acetate
CID 7631130
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 4-(4-ethoxyphenyl)-4-oxobutanoate
CID 28568700
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(3,4-dichlorophenyl)acetate
CID 7593484
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(2-fluorophenyl)sulfanylacetate
CID 7593898
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(4-cyanophenoxy)acetate
CID 4847727
[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methyl 2-(3-methylphenoxy)acetate
CID 7754352
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-[2-methoxy-4-[(E)-prop-1-enyl]phenoxy]acetate
CID 7593860
[4-amino-6-(4-chloroanilino)-1,3,5-triazin-2-yl]methyl 2-(1-phenylpyrazol-4-yl)acetate
CID 32935322

Frequently Asked Questions

What is the IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
The IUPAC name of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate (CID 7593564) is (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate.
What is the SMILES notation for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
The canonical SMILES for (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate is Nc1nc(COC(=O)COc2ccc(Cl)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
The InChIKey is RSCNFRNKSZJQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN5O3/c19-12-6-8-14(9-7-12)26-11-16(25)27-10-15-22-17(20)24-18(23-15)21-13-4-2-1-3-5-13/h1-9H,10-11H2,(H3,20,21,22,23,24).
What are the key properties of (4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate?
(4-amino-6-anilino-1,3,5-triazin-2-yl)methyl 2-(4-chlorophenoxy)acetate has a molecular weight of 385.81 g/mol, XLogP of 2.97, 7 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 2-(4-chlorophenoxy)acetate is sourced from PubChem (CID 7593564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).