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

C18H17N5O2 — CID 58205198

IUPACN-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
SMILESCOc1nc(NC(=O)c2ccc(C)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c1-12-8-10-13(11-9-12)15(24)20-17-21-16(22-18(23-17)25-2)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyUQVOETJZGXJGQK-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.18
Rot. Bonds5

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

N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide (PubChem CID 58205198) has the molecular formula C18H17N5O2 and a molecular weight of 335.37 g/mol. Its IUPAC name is N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
PubChem CID58205198
Molecular FormulaC18H17N5O2
Molecular Weight335.37 g/mol
Exact Mass335.14
IUPAC NameN-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
SMILESCOc1nc(NC(=O)c2ccc(C)cc2)nc(Nc2ccccc2)n1
InChIInChI=1S/C18H17N5O2/c1-12-8-10-13(11-9-12)15(24)20-17-21-16(22-18(23-17)25-2)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22,23,24)
InChIKeyUQVOETJZGXJGQK-UHFFFAOYSA-N
XLogP3.18
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205209
4-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)benzamide
CID 117092961
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide
CID 143053420
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
N-(4-benzamido-2,5-dimethoxyphenyl)-4-[(4,6-dimethylpyrimidin-2-yl)amino]benzamide
CID 108796630
4-N-ethyl-6-methoxy-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 80768361
N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-4-phenoxybenzamide
CID 122296113
1-[3-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)phenyl]ethanone
CID 117089057
N-(4,6-dimethoxypyrimidin-2-yl)benzamide
CID 4270193
N-(6-anilinopyridazin-3-yl)-4-methoxybenzamide
CID 113045480
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330

Frequently Asked Questions

What is the IUPAC name of N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide (CID 58205198) is N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide is COc1nc(NC(=O)c2ccc(C)cc2)nc(Nc2ccccc2)n1.
What is the InChIKey of N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
The InChIKey is UQVOETJZGXJGQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2/c1-12-8-10-13(11-9-12)15(24)20-17-21-16(22-18(23-17)25-2)19-14-6-4-3-5-7-14/h3-11H,1-2H3,(H2,19,20,21,22,23,24).
What are the key properties of N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide has a molecular weight of 335.37 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 58205198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).