6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine

C15H12ClN5O — CID 127036618

IUPAC6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccccc3Cl)cc2)n1
InChIInChI=1S/C15H12ClN5O/c16-11-3-1-2-4-12(11)22-10-7-5-9(6-8-10)13-19-14(17)21-15(18)20-13/h1-8H,(H4,17,18,19,20,21)
InChIKeySXUCFTHZSMGLIP-UHFFFAOYSA-N
MW313.75 g/mol
LogP3.15
Rot. Bonds3

About 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine

6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127036618) has the molecular formula C15H12ClN5O and a molecular weight of 313.75 g/mol. Its IUPAC name is 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127036618
Molecular FormulaC15H12ClN5O
Molecular Weight313.75 g/mol
Exact Mass313.07
IUPAC Name6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESNc1nc(N)nc(-c2ccc(Oc3ccccc3Cl)cc2)n1
InChIInChI=1S/C15H12ClN5O/c16-11-3-1-2-4-12(11)22-10-7-5-9(6-8-10)13-19-14(17)21-15(18)20-13/h1-8H,(H4,17,18,19,20,21)
InChIKeySXUCFTHZSMGLIP-UHFFFAOYSA-N
XLogP3.15
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.75
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1,3,5-Triazine-2,4-diamine, 6-(4-methoxyphenyl)-
CID 34921
6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
6-(4-Phenoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 745052
6-[4-[(4-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 21705470
6-[4-(3,4-Dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 2047338
4-(3-Chloro-4-methoxyphenyl)-6-(4-methylpiperazin-1-yl)-1,3,5-triazin-2-amine
CID 90645157
6-[4-(2,4-Dichlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127035449
6-[4-(4-Chloro-2-methyl-phenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036399
6-[4-[(3-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 129906767
6-[4-(4-Chloro-3-methyl-phenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036394
6-[4-(4-Tert-butylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036395

Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127036618) is 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Nc1nc(N)nc(-c2ccc(Oc3ccccc3Cl)cc2)n1.
What is the InChIKey of 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is SXUCFTHZSMGLIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O/c16-11-3-1-2-4-12(11)22-10-7-5-9(6-8-10)13-19-14(17)21-15(18)20-13/h1-8H,(H4,17,18,19,20,21).
What are the key properties of 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 313.75 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127036618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).