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

C12H13N5O2 — CID 58205209

IUPACN-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
SMILESCOc1nc(N)nc(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C12H13N5O2/c1-7-3-5-8(6-4-7)9(18)14-11-15-10(13)16-12(17-11)19-2/h3-6H,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyQCLQGPBVRFCJQK-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.02
Rot. Bonds3

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

N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide (PubChem CID 58205209) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
PubChem CID58205209
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC NameN-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
SMILESCOc1nc(N)nc(NC(=O)c2ccc(C)cc2)n1
InChIInChI=1S/C12H13N5O2/c1-7-3-5-8(6-4-7)9(18)14-11-15-10(13)16-12(17-11)19-2/h3-6H,1-2H3,(H3,13,14,15,16,17,18)
InChIKeyQCLQGPBVRFCJQK-UHFFFAOYSA-N
XLogP1.02
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.02
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)-3-methylbenzamide
CID 58205145
N-(4-anilino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide
CID 58205198
N-(2-methoxy-4,6-dimethylpyrimidin-5-yl)-4-methylbenzamide
CID 91969122
N-(5-amino-1,2,4-thiadiazol-3-yl)-4-methylbenzamide
CID 3783171
4-methyl-N-[6-(methylamino)-2-[(4-methylbenzoyl)amino]pyrimidin-4-yl]benzamide
CID 58205190
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]-6-methylpyrimidin-4-yl]benzamide
CID 66810040
N-(5,6-dimethyl-1,2,4-triazin-3-yl)-4-methylbenzamide
CID 27046784
N-[4-(4-methoxyphenyl)-6-(4-methylphenyl)pyrimidin-2-yl]benzamide
CID 20896233
4-methoxy-6-(4-methylphenoxy)-1,3,5-triazin-2-amine
CID 80862927
4-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-methoxybenzamide
CID 104782353
N-(4-methoxy-6-methyl-1,3,5-triazin-2-yl)acetamide
CID 14076289
4-[(4,6-dimethoxypyrimidin-2-yl)amino]-N-(4-methylphenyl)benzamide
CID 143053420

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
The IUPAC name of N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide (CID 58205209) is N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide.
What is the SMILES notation for N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
The canonical SMILES for N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide is COc1nc(N)nc(NC(=O)c2ccc(C)cc2)n1.
What is the InChIKey of N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
The InChIKey is QCLQGPBVRFCJQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-7-3-5-8(6-4-7)9(18)14-11-15-10(13)16-12(17-11)19-2/h3-6H,1-2H3,(H3,13,14,15,16,17,18).
What are the key properties of N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide?
N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide has a molecular weight of 259.27 g/mol, XLogP of 1.02, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-6-methoxy-1,3,5-triazin-2-yl)-4-methylbenzamide is sourced from PubChem (CID 58205209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).