4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol

C10H8Cl2N4O — CID 101088452

IUPAC4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O/c1-5-4-6(17)2-3-7(5)13-10-15-8(11)14-9(12)16-10/h2-4,17H,1H3,(H,13,14,15,16)
InChIKeyDWWVYYBXWPICCS-UHFFFAOYSA-N
MW271.11 g/mol
LogP2.94
Rot. Bonds2

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

4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol (PubChem CID 101088452) has the molecular formula C10H8Cl2N4O and a molecular weight of 271.11 g/mol. Its IUPAC name is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol.

Molecular Properties

Compound Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
PubChem CID101088452
Molecular FormulaC10H8Cl2N4O
Molecular Weight271.11 g/mol
Exact Mass270.01
IUPAC Name4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol
SMILESCc1cc(O)ccc1Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H8Cl2N4O/c1-5-4-6(17)2-3-7(5)13-10-15-8(11)14-9(12)16-10/h2-4,17H,1H3,(H,13,14,15,16)
InChIKeyDWWVYYBXWPICCS-UHFFFAOYSA-N
XLogP2.94
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.11
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-N-(4-chloro-2-methylphenyl)-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114256687
4-chloro-N-(4-chloro-2-methylphenyl)-6-methoxy-1,3,5-triazin-2-amine
CID 114256288
4,6-dichloro-N-(2,4,6-trimethylphenyl)-1,3,5-triazin-2-amine
CID 59052845
6-chloro-4-N-ethyl-2-N-(4-fluoro-2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 80762015
4-[(2-chloro-6-ethylthieno[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
CID 93214032
4-[(2-chloro-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-yl)amino]-3-methylphenol
CID 82065936
N-(4-bromo-2-methylphenyl)-4-chloro-6-propan-2-yloxy-1,3,5-triazin-2-amine
CID 63548188
N-(4-bromo-3-methylphenyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 55124610
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]amino]-3-methylphenol
CID 972909
6-chloro-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine
CID 616630
4-chloro-6-methyl-N-(4-methylthiophen-3-yl)-1,3,5-triazin-2-amine
CID 164655131
4-chloro-N-(4-methoxy-2-methylphenyl)-6-propoxy-1,3,5-triazin-2-amine
CID 62871544

Frequently Asked Questions

What is the IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol?
The IUPAC name of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol (CID 101088452) is 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol.
What is the SMILES notation for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol?
The canonical SMILES for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol is Cc1cc(O)ccc1Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol?
The InChIKey is DWWVYYBXWPICCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N4O/c1-5-4-6(17)2-3-7(5)13-10-15-8(11)14-9(12)16-10/h2-4,17H,1H3,(H,13,14,15,16).
What are the key properties of 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol?
4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol has a molecular weight of 271.11 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,6-dichloro-1,3,5-triazin-2-yl)amino]-3-methylphenol is sourced from PubChem (CID 101088452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).