6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine

C15H22ClN5 — CID 136591052

IUPAC6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC(C)NC1=NC(C)N/C(=N\CCc2cccc(Cl)c2)N1
InChIInChI=1S/C15H22ClN5/c1-10(2)18-15-20-11(3)19-14(21-15)17-8-7-12-5-4-6-13(16)9-12/h4-6,9-11H,7-8H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyWZPIREGYGPLCGS-UHFFFAOYSA-N
MW307.83 g/mol
LogP2.13
Rot. Bonds4

About 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine

6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine (PubChem CID 136591052) has the molecular formula C15H22ClN5 and a molecular weight of 307.83 g/mol. Its IUPAC name is 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine.

Molecular Properties

Compound Name6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine
PubChem CID136591052
Molecular FormulaC15H22ClN5
Molecular Weight307.83 g/mol
Exact Mass307.16
IUPAC Name6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine
SMILESCC(C)NC1=NC(C)N/C(=N\CCc2cccc(Cl)c2)N1
InChIInChI=1S/C15H22ClN5/c1-10(2)18-15-20-11(3)19-14(21-15)17-8-7-12-5-4-6-13(16)9-12/h4-6,9-11H,7-8H2,1-3H3,(H3,17,18,19,20,21)
InChIKeyWZPIREGYGPLCGS-UHFFFAOYSA-N
XLogP2.13
TPSA60.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.83
LogP ≤ 52.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[2-(3-chlorophenyl)ethylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-N-(3-chlorophenyl)-4-methyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;6-[(4-chlorophenyl)methylimino]-2-methyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;2-N-(3-chlorophenyl)-4-methyl-6-N-propan-2-yl-1,4-dihydro-1,3,5-triazine-2,6-diamine;4-N-(4-chlorophenyl)-4-N,6-N,6-N,2,5-pentamethyl-2H-1,3,5-triazine-4,6-diamine;6-N-(4-chlorophenyl)-2-N,2-N,6-N,4-tetramethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine;2-N-(4-chlorophenyl)-6-N,6-N,4-trimethyl-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 160595790
6-[2-(4-chlorophenyl)ethylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;6-[(4-chlorophenyl)methylimino]-N,N,2-trimethyl-2,5-dihydro-1H-1,3,5-triazin-4-amine;ethane;methane;6-N,6-N,4-trimethyl-2-N-(3-methylphenyl)-1,4-dihydro-1,3,5-triazine-2,6-diamine
CID 158326867
4-(3-chlorophenyl)-2-methyl-N-propan-2-ylbutan-1-amine
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CID 57308391
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N-[2-(3-chlorophenyl)ethyl]-2-cyclopropylpropanamide
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Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The IUPAC name of 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine (CID 136591052) is 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine.
What is the SMILES notation for 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The canonical SMILES for 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine is CC(C)NC1=NC(C)N/C(=N\CCc2cccc(Cl)c2)N1.
What is the InChIKey of 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
The InChIKey is WZPIREGYGPLCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22ClN5/c1-10(2)18-15-20-11(3)19-14(21-15)17-8-7-12-5-4-6-13(16)9-12/h4-6,9-11H,7-8H2,1-3H3,(H3,17,18,19,20,21).
What are the key properties of 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine?
6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine has a molecular weight of 307.83 g/mol, XLogP of 2.13, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-chlorophenyl)ethylimino]-2-methyl-N-propan-2-yl-2,5-dihydro-1H-1,3,5-triazin-4-amine is sourced from PubChem (CID 136591052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).