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

C17H16ClN5O — CID 137148603

IUPAC4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
SMILESCCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1
InChIInChI=1S/C17H16ClN5O/c1-2-19-17-22-13(12-5-3-4-8-20-12)10-16(23-17)21-14-9-11(18)6-7-15(14)24/h3-10,24H,2H2,1H3,(H2,19,21,22,23)
InChIKeyFARQYRCLHOIXER-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.07
Rot. Bonds5

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

4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol (PubChem CID 137148603) has the molecular formula C17H16ClN5O and a molecular weight of 341.80 g/mol. Its IUPAC name is 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
PubChem CID137148603
Molecular FormulaC17H16ClN5O
Molecular Weight341.80 g/mol
Exact Mass341.10
IUPAC Name4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
SMILESCCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1
InChIInChI=1S/C17H16ClN5O/c1-2-19-17-22-13(12-5-3-4-8-20-12)10-16(23-17)21-14-9-11(18)6-7-15(14)24/h3-10,24H,2H2,1H3,(H2,19,21,22,23)
InChIKeyFARQYRCLHOIXER-UHFFFAOYSA-N
XLogP4.07
TPSA82.96 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-[[2-[[(2R)-1-hydroxy-3-methylbutan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148684
2,6-dichloro-4-[[2-[2-(dimethylamino)ethylamino]-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137148651
2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137061753
4-N-(2,5-dichlorophenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80768406
4-chloro-2-(ethylamino)phenol
CID 15847212
4-chloro-2-[[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137061729
4-[[2-[[(2S)-butan-2-yl]amino]-6-pyridin-2-ylpyrimidin-4-yl]amino]-2,6-dichlorophenol
CID 137148638
2-[[4-(4-hydroxyanilino)-6-pyridin-2-ylpyrimidin-2-yl]amino]acetic acid
CID 137061757
N-(6-chloro-2-pyridin-2-ylquinolin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 91938180
4-N-(5-chloro-2-methoxyphenyl)-6-phenyl-2-N-propylpyrimidine-2,4-diamine
CID 112932591
4-N-(5-chloro-2-methoxyphenyl)-2-N-ethylpyrimidine-2,4-diamine
CID 80763652
2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137161882

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The IUPAC name of 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol (CID 137148603) is 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The canonical SMILES for 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol is CCNc1nc(Nc2cc(Cl)ccc2O)cc(-c2ccccn2)n1.
What is the InChIKey of 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
The InChIKey is FARQYRCLHOIXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClN5O/c1-2-19-17-22-13(12-5-3-4-8-20-12)10-16(23-17)21-14-9-11(18)6-7-15(14)24/h3-10,24H,2H2,1H3,(H2,19,21,22,23).
What are the key properties of 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol?
4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol has a molecular weight of 341.80 g/mol, XLogP of 4.07, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[2-(ethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 137148603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).