2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol

C17H15Cl2N5O2 — CID 137061753

IUPAC2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
SMILESOCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H15Cl2N5O2/c18-11-7-10(8-12(19)16(11)26)22-15-9-14(13-3-1-2-4-20-13)23-17(24-15)21-5-6-25/h1-4,7-9,25-26H,5-6H2,(H2,21,22,23,24)
InChIKeyZKAFRLTZDUHGPP-UHFFFAOYSA-N
MW392.25 g/mol
LogP3.70
Rot. Bonds6

About 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol

2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol (PubChem CID 137061753) has the molecular formula C17H15Cl2N5O2 and a molecular weight of 392.25 g/mol. Its IUPAC name is 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
PubChem CID137061753
Molecular FormulaC17H15Cl2N5O2
Molecular Weight392.25 g/mol
Exact Mass391.06
IUPAC Name2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
SMILESOCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C17H15Cl2N5O2/c18-11-7-10(8-12(19)16(11)26)22-15-9-14(13-3-1-2-4-20-13)23-17(24-15)21-5-6-25/h1-4,7-9,25-26H,5-6H2,(H2,21,22,23,24)
InChIKeyZKAFRLTZDUHGPP-UHFFFAOYSA-N
XLogP3.70
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.25
LogP ≤ 53.70
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148651
4-[[2-[[(2S)-butan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]-2,6-dichlorophenol
CID 137148638
2,6-dichloro-4-[[2-(cyclohexylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137061750
2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid
CID 137061757
2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137161882
4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148603
4-chloro-2-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148684
4-chloro-2,6-dipyridin-2-ylpyridine;platinum
CID 87267165
2-phenyl-6-pyridin-2-yl-N-pyrimidin-2-ylpyrimidin-4-amine
CID 3411544
2-chloro-N-[3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]phenyl]acetamide
CID 11674510
N-(3,5-dichlorophenyl)-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 2730488
4-[(2-anilino-6-phenylpyrimidin-4-yl)amino]-2-chlorophenol
CID 69347260

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The IUPAC name of 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol (CID 137061753) is 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol is OCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1.
What is the InChIKey of 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The InChIKey is ZKAFRLTZDUHGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O2/c18-11-7-10(8-12(19)16(11)26)22-15-9-14(13-3-1-2-4-20-13)23-17(24-15)21-5-6-25/h1-4,7-9,25-26H,5-6H2,(H2,21,22,23,24).
What are the key properties of 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol has a molecular weight of 392.25 g/mol, XLogP of 3.70, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 137061753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).