4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline

C13H15ClN4 — CID 82485791

IUPAC4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline
SMILESCc1nc(-c2cc(Cl)ccc2N)nc(C(C)C)n1
InChIInChI=1S/C13H15ClN4/c1-7(2)12-16-8(3)17-13(18-12)10-6-9(14)4-5-11(10)15/h4-7H,15H2,1-3H3
InChIKeyHYSXKQMQBPTQHK-UHFFFAOYSA-N
MW262.74 g/mol
LogP3.21
Rot. Bonds2

About 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline

4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline (PubChem CID 82485791) has the molecular formula C13H15ClN4 and a molecular weight of 262.74 g/mol. Its IUPAC name is 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline.

Molecular Properties

Compound Name4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline
PubChem CID82485791
Molecular FormulaC13H15ClN4
Molecular Weight262.74 g/mol
Exact Mass262.10
IUPAC Name4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline
SMILESCc1nc(-c2cc(Cl)ccc2N)nc(C(C)C)n1
InChIInChI=1S/C13H15ClN4/c1-7(2)12-16-8(3)17-13(18-12)10-6-9(14)4-5-11(10)15/h4-7H,15H2,1-3H3
InChIKeyHYSXKQMQBPTQHK-UHFFFAOYSA-N
XLogP3.21
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline?
The IUPAC name of 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline (CID 82485791) is 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline.
What is the SMILES notation for 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline?
The canonical SMILES for 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline is Cc1nc(-c2cc(Cl)ccc2N)nc(C(C)C)n1.
What is the InChIKey of 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline?
The InChIKey is HYSXKQMQBPTQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4/c1-7(2)12-16-8(3)17-13(18-12)10-6-9(14)4-5-11(10)15/h4-7H,15H2,1-3H3.
What are the key properties of 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline?
4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline has a molecular weight of 262.74 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-methyl-6-propan-2-yl-1,3,5-triazin-2-yl)aniline is sourced from PubChem (CID 82485791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).