2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol

C16H14ClN5O2 — CID 826975

IUPAC2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCOc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3O)n2)cc1
InChIInChI=1S/C16H14ClN5O2/c1-24-11-5-3-10(4-6-11)19-16-21-14(20-15(18)22-16)12-8-9(17)2-7-13(12)23/h2-8,23H,1H3,(H3,18,19,20,21,22)
InChIKeyLNFQPMOGLVGIBY-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.23
Rot. Bonds4

About 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol

2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol (PubChem CID 826975) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol.

Molecular Properties

Compound Name2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
PubChem CID826975
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
SMILESCOc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3O)n2)cc1
InChIInChI=1S/C16H14ClN5O2/c1-24-11-5-3-10(4-6-11)19-16-21-14(20-15(18)22-16)12-8-9(17)2-7-13(12)23/h2-8,23H,1H3,(H3,18,19,20,21,22)
InChIKeyLNFQPMOGLVGIBY-UHFFFAOYSA-N
XLogP3.23
TPSA106.18 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol
CID 10246865
2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 137035550
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 89433035
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
4,6-dichloro-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 10849619
6-chloro-2-N-(4-methoxyphenyl)pyrimidine-2,4-diamine
CID 133054578
6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 10155924
6-chloro-2-N,4-N-bis(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 23191
2-(4-anilino-6-phenyl-1,3,5-triazin-2-yl)-5-methoxyphenol
CID 136603035
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-[2-chloro-5-(trifluoromethyl)phenyl]-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;6-(2,5-dichlorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine;methane
CID 159897076
5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide
CID 10157990
6-chloro-2-N-(3-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 80762521

Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The IUPAC name of 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol (CID 826975) is 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol.
What is the SMILES notation for 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The canonical SMILES for 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol is COc1ccc(Nc2nc(N)nc(-c3cc(Cl)ccc3O)n2)cc1.
What is the InChIKey of 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol?
The InChIKey is LNFQPMOGLVGIBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-24-11-5-3-10(4-6-11)19-16-21-14(20-15(18)22-16)12-8-9(17)2-7-13(12)23/h2-8,23H,1H3,(H3,18,19,20,21,22).
What are the key properties of 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol?
2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol has a molecular weight of 343.77 g/mol, XLogP of 3.23, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol is sourced from PubChem (CID 826975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).