4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol

C19H20N6O — CID 18545602

IUPAC4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
SMILESOc1ccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)cc1
InChIInChI=1S/C19H20N6O/c26-16-4-2-15(3-5-16)23-19-21-8-7-17(24-19)14-1-6-18(22-13-14)25-11-9-20-10-12-25/h1-8,13,20,26H,9-12H2,(H,21,23,24)
InChIKeyXZIOIZAZMOWQKC-UHFFFAOYSA-N
MW348.41 g/mol
LogP2.40
Rot. Bonds4

About 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol

4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol (PubChem CID 18545602) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol.

Molecular Properties

Compound Name4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
PubChem CID18545602
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol
SMILESOc1ccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)cc1
InChIInChI=1S/C19H20N6O/c26-16-4-2-15(3-5-16)23-19-21-8-7-17(24-19)14-1-6-18(22-13-14)25-11-9-20-10-12-25/h1-8,13,20,26H,9-12H2,(H,21,23,24)
InChIKeyXZIOIZAZMOWQKC-UHFFFAOYSA-N
XLogP2.40
TPSA86.20 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 18545620
N-[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]-1H-indazol-6-amine
CID 18697939
3-chloroaniline;N-(3-chlorophenyl)-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 70342501
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[(6-piperazin-1-yl-3-pyridinyl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78324428
(2R)-N-[4-[2-(4-piperazin-1-ylanilino)pyrimidin-4-yl]phenyl]pyrrolidine-2-carboxamide
CID 70315153
N-[6-(4-propan-2-ylpiperazin-1-yl)-3-pyridinyl]-4-pyridin-3-ylpyrimidin-2-amine
CID 175733112
3,4-dimethoxyaniline;N-[(3,4-dimethoxyphenyl)methyl]-4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-amine
CID 70341186
N-(aminomethyl)-4-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]pyrimidin-4-yl]benzamide
CID 70864316
2-(4-piperazin-1-ylanilino)pyrimidine-4-carboxamide
CID 69247814
piperazin-1-yl-[4-[[4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrimidin-2-yl]amino]phenyl]methanone
CID 58716570
1-(5-pyridin-3-yl-2-pyridinyl)piperazine;hydrochloride
CID 23133526
8-(3-fluorophenyl)-N-(6-piperazin-1-yl-3-pyridinyl)pyrido[3,4-d]pyrimidin-2-amine
CID 118162900

Frequently Asked Questions

What is the IUPAC name of 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol?
The IUPAC name of 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol (CID 18545602) is 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol.
What is the SMILES notation for 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol?
The canonical SMILES for 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol is Oc1ccc(Nc2nccc(-c3ccc(N4CCNCC4)nc3)n2)cc1.
What is the InChIKey of 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol?
The InChIKey is XZIOIZAZMOWQKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O/c26-16-4-2-15(3-5-16)23-19-21-8-7-17(24-19)14-1-6-18(22-13-14)25-11-9-20-10-12-25/h1-8,13,20,26H,9-12H2,(H,21,23,24).
What are the key properties of 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol?
4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol has a molecular weight of 348.41 g/mol, XLogP of 2.40, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-(6-piperazin-1-yl-3-pyridinyl)pyrimidin-2-yl]amino]phenol is sourced from PubChem (CID 18545602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).