4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine

C15H18Cl2N4 — CID 149100752

IUPAC4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
SMILESCCCC(C)(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C15H18Cl2N4/c1-4-9-15(2,3)10-5-7-11(8-6-10)18-14-20-12(16)19-13(17)21-14/h5-8H,4,9H2,1-3H3,(H,18,19,20,21)
InChIKeyQUOVFGOWDZFRSX-UHFFFAOYSA-N
MW325.24 g/mol
LogP5.00
Rot. Bonds5

About 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine

4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine (PubChem CID 149100752) has the molecular formula C15H18Cl2N4 and a molecular weight of 325.24 g/mol. Its IUPAC name is 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
PubChem CID149100752
Molecular FormulaC15H18Cl2N4
Molecular Weight325.24 g/mol
Exact Mass324.09
IUPAC Name4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine
SMILESCCCC(C)(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1
InChIInChI=1S/C15H18Cl2N4/c1-4-9-15(2,3)10-5-7-11(8-6-10)18-14-20-12(16)19-13(17)21-14/h5-8H,4,9H2,1-3H3,(H,18,19,20,21)
InChIKeyQUOVFGOWDZFRSX-UHFFFAOYSA-N
XLogP5.00
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.24
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,6-dichloro-N-[4-(4-ethylphenyl)phenyl]-1,3,5-triazin-2-amine
CID 135338335
6-chloro-4-N-methyl-2-N-[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4-diamine
CID 80760168
4-N-[[3-[[[4-(4-tert-butylanilino)-6-chloro-1,3,5-triazin-2-yl]amino]methyl]phenyl]methyl]-2-N-(4-tert-butylphenyl)-6-chloro-1,3,5-triazine-2,4-diamine
CID 101120335
6-chloro-4-N-hexyl-2-N-(4-iodophenyl)-1,3,5-triazine-2,4-diamine
CID 5124094
6-chloro-2-N-(4-methoxyphenyl)-4-N-propyl-1,3,5-triazine-2,4-diamine
CID 80760173
2-N-tert-butyl-6-chloro-4-N-(4-chlorophenyl)-1,3,5-triazine-2,4-diamine
CID 753616
6-chloro-4-N-ethyl-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 6452884
4,6-dichloro-N-(2-methylpentan-2-yl)-1,3,5-triazin-2-amine
CID 6430811
4,6-dichloro-N-[4-[4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]phenoxy]phenyl]-1,3,5-triazin-2-amine
CID 102176522
4-chloro-N-(4-iodophenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 55221743
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
6-chloro-2-N-(4-ethoxyphenyl)-4-N-ethyl-1,3,5-triazine-2,4-diamine
CID 80768213

Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine (CID 149100752) is 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine is CCCC(C)(C)c1ccc(Nc2nc(Cl)nc(Cl)n2)cc1.
What is the InChIKey of 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine?
The InChIKey is QUOVFGOWDZFRSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4/c1-4-9-15(2,3)10-5-7-11(8-6-10)18-14-20-12(16)19-13(17)21-14/h5-8H,4,9H2,1-3H3,(H,18,19,20,21).
What are the key properties of 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine?
4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine has a molecular weight of 325.24 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-[4-(2-methylpentan-2-yl)phenyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 149100752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).