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

C17H15Cl2N5O — CID 137161882

IUPAC2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
SMILESCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1
InChIInChI=1S/C17H15Cl2N5O/c1-2-21-17-23-14(10-3-5-20-6-4-10)9-15(24-17)22-11-7-12(18)16(25)13(19)8-11/h3-9,25H,2H2,1H3,(H2,21,22,23,24)
InChIKeyBTDSANBUKBOXNR-UHFFFAOYSA-N
MW376.25 g/mol
LogP4.73
Rot. Bonds5

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

2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol (PubChem CID 137161882) has the molecular formula C17H15Cl2N5O and a molecular weight of 376.25 g/mol. Its IUPAC name is 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
PubChem CID137161882
Molecular FormulaC17H15Cl2N5O
Molecular Weight376.25 g/mol
Exact Mass375.07
IUPAC Name2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
SMILESCCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1
InChIInChI=1S/C17H15Cl2N5O/c1-2-21-17-23-14(10-3-5-20-6-4-10)9-15(24-17)22-11-7-12(18)16(25)13(19)8-11/h3-9,25H,2H2,1H3,(H2,21,22,23,24)
InChIKeyBTDSANBUKBOXNR-UHFFFAOYSA-N
XLogP4.73
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.25
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148651
3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137061740
4-[[2-[[(2S)-butan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]-2,6-dichlorophenol
CID 137148638
2,6-dichloro-4-(ethylamino)phenol
CID 82550826
4-N-(3-chloro-4-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932590
4-chloro-2-[[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137061729
N-ethyl-2-propan-2-yl-6-pyridin-4-ylpyrimidin-4-amine
CID 80952838
4-[(2-anilino-6-phenylpyrimidin-4-yl)amino]-2-chlorophenol
CID 69347260
4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148603
2,6-dichloro-4-[[2-(cyclohexylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137061750
3-chloro-4-[[2-(cyclohexylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137061747

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
The IUPAC name of 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol (CID 137161882) is 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
The canonical SMILES for 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol is CCNc1nc(Nc2cc(Cl)c(O)c(Cl)c2)cc(-c2ccncc2)n1.
What is the InChIKey of 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
The InChIKey is BTDSANBUKBOXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15Cl2N5O/c1-2-21-17-23-14(10-3-5-20-6-4-10)9-15(24-17)22-11-7-12(18)16(25)13(19)8-11/h3-9,25H,2H2,1H3,(H2,21,22,23,24).
What are the key properties of 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol has a molecular weight of 376.25 g/mol, XLogP of 4.73, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 137161882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).