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

C19H20Cl2N6O — CID 137148651

IUPAC2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
SMILESCN(C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C19H20Cl2N6O/c1-27(2)8-7-23-19-25-16(15-5-3-4-6-22-15)11-17(26-19)24-12-9-13(20)18(28)14(21)10-12/h3-6,9-11,28H,7-8H2,1-2H3,(H2,23,24,25,26)
InChIKeyKBHBJLJQUNGYPA-UHFFFAOYSA-N
MW419.32 g/mol
LogP4.27
Rot. Bonds7

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

2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol (PubChem CID 137148651) has the molecular formula C19H20Cl2N6O and a molecular weight of 419.32 g/mol. Its IUPAC name is 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
PubChem CID137148651
Molecular FormulaC19H20Cl2N6O
Molecular Weight419.32 g/mol
Exact Mass418.11
IUPAC Name2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
SMILESCN(C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1
InChIInChI=1S/C19H20Cl2N6O/c1-27(2)8-7-23-19-25-16(15-5-3-4-6-22-15)11-17(26-19)24-12-9-13(20)18(28)14(21)10-12/h3-6,9-11,28H,7-8H2,1-2H3,(H2,23,24,25,26)
InChIKeyKBHBJLJQUNGYPA-UHFFFAOYSA-N
XLogP4.27
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.32
LogP ≤ 54.27
H-Bond Donors ≤ 53
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-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137061753
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
4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148603
2-N-[2-(dimethylamino)ethyl]-4-N-(3,5-dimethylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935959
2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137161882
2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid
CID 137061757
4-N-(4-tert-butylphenyl)-2-N-[2-(dimethylamino)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 112935970
4-N-(2-chlorophenyl)-2-N-[2-(dimethylamino)ethyl]-6-methylpyrimidine-2,4-diamine
CID 112913041
N',N'-dimethyl-N-(6-pyridin-2-ylpyridazin-3-yl)ethane-1,2-diamine
CID 130251282
4-chloro-2-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148684
2-N-[2-(dimethylamino)ethyl]-4-N-(2-methylphenyl)-6-phenylpyrimidine-2,4-diamine
CID 112935950

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The IUPAC name of 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol (CID 137148651) is 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol is CN(C)CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccccn2)n1.
What is the InChIKey of 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The InChIKey is KBHBJLJQUNGYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O/c1-27(2)8-7-23-19-25-16(15-5-3-4-6-22-15)11-17(26-19)24-12-9-13(20)18(28)14(21)10-12/h3-6,9-11,28H,7-8H2,1-2H3,(H2,23,24,25,26).
What are the key properties of 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol has a molecular weight of 419.32 g/mol, XLogP of 4.27, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 137148651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).