4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol

C16H14ClN5O2 — CID 10246865

IUPAC4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H14ClN5O2/c1-24-13-7-2-9(17)8-12(13)14-20-15(18)22-16(21-14)19-10-3-5-11(23)6-4-10/h2-8,23H,1H3,(H3,18,19,20,21,22)
InChIKeyCFSPXSRPSNVZCV-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.23
Rot. Bonds4

About 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol

4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol (PubChem CID 10246865) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol
PubChem CID10246865
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC Name4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol
SMILESCOc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(O)cc2)n1
InChIInChI=1S/C16H14ClN5O2/c1-24-13-7-2-9(17)8-12(13)14-20-15(18)22-16(21-14)19-10-3-5-11(23)6-4-10/h2-8,23H,1H3,(H3,18,19,20,21,22)
InChIKeyCFSPXSRPSNVZCV-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Analyze 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol with MolForge

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Related Compounds

2-[4-amino-6-(4-methoxyanilino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 826975
6-(5-chloro-2-fluorophenyl)-2-N-(4-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 89433035
2-[4-amino-6-(methylamino)-1,3,5-triazin-2-yl]-4-chlorophenol
CID 137035550
2-N-(4-fluoro-3-methoxyphenyl)-1,3,5-triazine-2,4,6-triamine
CID 91334398
6-(5-chloro-2-methylphenyl)-2-N-[4-[(dimethylamino)methyl]phenyl]-1,3,5-triazine-2,4-diamine
CID 10155924
2-N-(5-chloro-2-methoxyphenyl)-6-methoxy-1,3,5-triazine-2,4-diamine
CID 80763444
(2S)-2-amino-4-[[4-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]phenyl]methoxy]-4-oxobutanoic acid
CID 10139221
2-[4-[[2-amino-6-(5-chloro-2-methoxyphenyl)pyrimidin-4-yl]amino]phenyl]ethanol
CID 11406086
4-(3-chloro-4-methoxyanilino)phenol
CID 82537279
4-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]phenol
CID 59860984
5-[[4-amino-6-(5-chloro-2-methylphenyl)-1,3,5-triazin-2-yl]amino]-2-chloro-N-methylbenzamide
CID 10157990
6-(5-chloro-2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 90189267

Frequently Asked Questions

What is the IUPAC name of 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol (CID 10246865) is 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol is COc1ccc(Cl)cc1-c1nc(N)nc(Nc2ccc(O)cc2)n1.
What is the InChIKey of 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol?
The InChIKey is CFSPXSRPSNVZCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-24-13-7-2-9(17)8-12(13)14-20-15(18)22-16(21-14)19-10-3-5-11(23)6-4-10/h2-8,23H,1H3,(H3,18,19,20,21,22).
What are the key properties of 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol?
4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol 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 4-[[4-amino-6-(5-chloro-2-methoxyphenyl)-1,3,5-triazin-2-yl]amino]phenol is sourced from PubChem (CID 10246865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).