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

C16H14ClN5O2 — CID 171353014

IUPAC6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(N)n2)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O2/c1-23-12-7-2-9(14-20-15(18)22-16(19)21-14)8-13(12)24-11-5-3-10(17)4-6-11/h2-8H,1H3,(H4,18,19,20,21,22)
InChIKeyZAQQMRVUSJOUSH-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.16
Rot. Bonds4

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

6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine (PubChem CID 171353014) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine
PubChem CID171353014
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(-c2nc(N)nc(N)n2)cc1Oc1ccc(Cl)cc1
InChIInChI=1S/C16H14ClN5O2/c1-23-12-7-2-9(14-20-15(18)22-16(19)21-14)8-13(12)24-11-5-3-10(17)4-6-11/h2-8H,1H3,(H4,18,19,20,21,22)
InChIKeyZAQQMRVUSJOUSH-UHFFFAOYSA-N
XLogP3.16
TPSA109.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[4-(4-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 745572
6-[4-[(4-Chlorophenyl)methoxy]phenyl]-1,3,5-triazine-2,4-diamine
CID 21705470
4-(3,4-dimethoxyphenyl)-N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1,3,5-triazin-2-amine
CID 71599190
6-[4-(3,4-Dimethylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 2047338
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
2-(3,4-Dimethoxyphenyl)-4,6-bis(trichloromethyl)-1,3,5-triazine
CID 11669615
6-[4-(4-Chloro-3-methyl-phenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036394
6-[4-(4-Chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036396
6-[4-(2-Chlorophenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036618
6-[4-(3-Methylphenoxy)phenyl]-1,3,5-triazine-2,4-diamine
CID 127036782

Frequently Asked Questions

What is the IUPAC name of 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine (CID 171353014) is 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine is COc1ccc(-c2nc(N)nc(N)n2)cc1Oc1ccc(Cl)cc1.
What is the InChIKey of 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is ZAQQMRVUSJOUSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-23-12-7-2-9(14-20-15(18)22-16(19)21-14)8-13(12)24-11-5-3-10(17)4-6-11/h2-8H,1H3,(H4,18,19,20,21,22).
What are the key properties of 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine?
6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 343.77 g/mol, XLogP of 3.16, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(4-chlorophenoxy)-4-methoxyphenyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 171353014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).