4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide

C17H15N5O2 — CID 117092961

IUPAC4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide
SMILESCOc1nc(Nc2ccccc2)nc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C17H15N5O2/c1-24-17-21-15(12-9-7-11(8-10-12)14(18)23)20-16(22-17)19-13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,23)(H,19,20,21,22)
InChIKeyYEGGZQFQFAJAQS-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.39
Rot. Bonds5

About 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide

4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide (PubChem CID 117092961) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide.

Molecular Properties

Compound Name4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide
PubChem CID117092961
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC Name4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide
SMILESCOc1nc(Nc2ccccc2)nc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C17H15N5O2/c1-24-17-21-15(12-9-7-11(8-10-12)14(18)23)20-16(22-17)19-13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,23)(H,19,20,21,22)
InChIKeyYEGGZQFQFAJAQS-UHFFFAOYSA-N
XLogP2.39
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone
CID 117089057
4-[4-(cyclopropylamino)-6-methoxy-1,3,5-triazin-2-yl]benzamide
CID 117092347
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205198
4-[[4-(dimethylamino)quinazolin-2-yl]amino]benzamide
CID 50944573
ethyl 4-[(4,6-diphenoxy-1,3,5-triazin-2-yl)amino]benzoate
CID 86729978
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
4-[[4-(ethylamino)-6-methoxy-1,3,5-triazin-2-yl]oxy]benzamide
CID 80874835
tert-butyl N-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)carbamate
CID 71605067
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
4-phenoxy-N-phenyl-6-(4-phenylphenoxy)-1,3,5-triazin-2-amine
CID 163712308
4-[(4-amino-6-methoxy-1,3,5-triazin-2-yl)oxy]benzamide
CID 80881678
N-(4-fluorophenyl)-4,6-dimethoxy-1,3,5-triazin-2-amine
CID 2796483

Frequently Asked Questions

What is the IUPAC name of 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide?
The IUPAC name of 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide (CID 117092961) is 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide.
What is the SMILES notation for 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide?
The canonical SMILES for 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide is COc1nc(Nc2ccccc2)nc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide?
The InChIKey is YEGGZQFQFAJAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-24-17-21-15(12-9-7-11(8-10-12)14(18)23)20-16(22-17)19-13-5-3-2-4-6-13/h2-10H,1H3,(H2,18,23)(H,19,20,21,22).
What are the key properties of 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide?
4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide has a molecular weight of 321.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide is sourced from PubChem (CID 117092961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).