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

C16H14ClN5O — CID 127036399

IUPAC6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Cl)ccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C16H14ClN5O/c1-9-8-11(17)4-7-13(9)23-12-5-2-10(3-6-12)14-20-15(18)22-16(19)21-14/h2-8H,1H3,(H4,18,19,20,21,22)
InChIKeyWWECSPCANQWFMX-UHFFFAOYSA-N
MW327.78 g/mol
LogP3.46
Rot. Bonds3

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

6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 127036399) has the molecular formula C16H14ClN5O and a molecular weight of 327.78 g/mol. Its IUPAC name is 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
PubChem CID127036399
Molecular FormulaC16H14ClN5O
Molecular Weight327.78 g/mol
Exact Mass327.09
IUPAC Name6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Cl)ccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1
InChIInChI=1S/C16H14ClN5O/c1-9-8-11(17)4-7-13(9)23-12-5-2-10(3-6-12)14-20-15(18)22-16(19)21-14/h2-8H,1H3,(H4,18,19,20,21,22)
InChIKeyWWECSPCANQWFMX-UHFFFAOYSA-N
XLogP3.46
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.78
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
6-(5-Chloro-2-ethoxy-phenyl)-N-(4-chloro-phenyl)-[1,3,5]triazine-2,4-diamine
CID 10110036
6-[4-(2-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 790865
6-(5-chloro-2-methoxyphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 826988
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N,N-dipropylamine
CID 826994
CID 127036397
CID 127036397
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-(6-chloro-2H-chromen-3-yl)-1,3,5-triazine-2,4-diamine
CID 2725924
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-cyclohexylamine
CID 826987
N-[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]-N-ethylamine
CID 826995
6-(5-chloro-2-methoxyphenyl)-2-N-propyl-1,3,5-triazine-2,4-diamine
CID 1827385

Frequently Asked Questions

What is the IUPAC name of 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine (CID 127036399) is 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is Cc1cc(Cl)ccc1Oc1ccc(-c2nc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is WWECSPCANQWFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O/c1-9-8-11(17)4-7-13(9)23-12-5-2-10(3-6-12)14-20-15(18)22-16(19)21-14/h2-8H,1H3,(H4,18,19,20,21,22).
What are the key properties of 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine?
6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 327.78 g/mol, XLogP of 3.46, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(4-chloro-2-methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 127036399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).