5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline

C12H14N4 — CID 82471138

IUPAC5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
SMILESCc1nc(C)nc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C12H14N4/c1-7-4-5-10(6-11(7)13)12-15-8(2)14-9(3)16-12/h4-6H,13H2,1-3H3
InChIKeyIWGCQLALUINIHP-UHFFFAOYSA-N
MW214.27 g/mol
LogP2.05
Rot. Bonds1

About 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline

5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline (PubChem CID 82471138) has the molecular formula C12H14N4 and a molecular weight of 214.27 g/mol. Its IUPAC name is 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline.

Molecular Properties

Compound Name5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
PubChem CID82471138
Molecular FormulaC12H14N4
Molecular Weight214.27 g/mol
Exact Mass214.12
IUPAC Name5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline
SMILESCc1nc(C)nc(-c2ccc(C)c(N)c2)n1
InChIInChI=1S/C12H14N4/c1-7-4-5-10(6-11(7)13)12-15-8(2)14-9(3)16-12/h4-6H,13H2,1-3H3
InChIKeyIWGCQLALUINIHP-UHFFFAOYSA-N
XLogP2.05
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.27
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(3-fluoro-4-methylphenyl)-6-methyl-1,3,5-triazin-2-amine
CID 63867429
5-(4-aminophenyl)-2-methylaniline
CID 68788638
ethane;2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)aniline
CID 171813495
2-methyl-5-(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487194
2-methyl-5-(5-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)aniline
CID 83966915
5-(3-amino-4-methylphenyl)-2,3-dimethylaniline
CID 165490203
5-(6-bromo-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83966941
2-methyl-5-(5-pyridin-2-yl-1H-1,2,4-triazol-3-yl)aniline
CID 66487228
5-(2-aminophenyl)-2-methylaniline
CID 68793709
2-methyl-5-(2-methyl-5-phenyl-1,2,4-triazol-3-yl)aniline
CID 62733002
2-methyl-5-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)aniline
CID 28539900
5-(8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-2-yl)-2-methylaniline
CID 83967080

Frequently Asked Questions

What is the IUPAC name of 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline?
The IUPAC name of 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline (CID 82471138) is 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline.
What is the SMILES notation for 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline?
The canonical SMILES for 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline is Cc1nc(C)nc(-c2ccc(C)c(N)c2)n1.
What is the InChIKey of 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline?
The InChIKey is IWGCQLALUINIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4/c1-7-4-5-10(6-11(7)13)12-15-8(2)14-9(3)16-12/h4-6H,13H2,1-3H3.
What are the key properties of 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline?
5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline has a molecular weight of 214.27 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,6-dimethyl-1,3,5-triazin-2-yl)-2-methylaniline is sourced from PubChem (CID 82471138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).