3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol

C18H18ClN5O2 — CID 137061740

IUPAC3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
SMILESOCCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1
InChIInChI=1S/C18H18ClN5O2/c19-14-10-13(26)2-3-15(14)22-17-11-16(12-4-7-20-8-5-12)23-18(24-17)21-6-1-9-25/h2-5,7-8,10-11,25-26H,1,6,9H2,(H2,21,22,23,24)
InChIKeyWWUZPIOURLLQRE-UHFFFAOYSA-N
MW371.83 g/mol
LogP3.44
Rot. Bonds7

About 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol

3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol (PubChem CID 137061740) has the molecular formula C18H18ClN5O2 and a molecular weight of 371.83 g/mol. Its IUPAC name is 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol.

Molecular Properties

Compound Name3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
PubChem CID137061740
Molecular FormulaC18H18ClN5O2
Molecular Weight371.83 g/mol
Exact Mass371.11
IUPAC Name3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
SMILESOCCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1
InChIInChI=1S/C18H18ClN5O2/c19-14-10-13(26)2-3-15(14)22-17-11-16(12-4-7-20-8-5-12)23-18(24-17)21-6-1-9-25/h2-5,7-8,10-11,25-26H,1,6,9H2,(H2,21,22,23,24)
InChIKeyWWUZPIOURLLQRE-UHFFFAOYSA-N
XLogP3.44
TPSA103.19 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.83
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-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

3-chloro-4-[[2-(cyclohexylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137061747
2,6-dichloro-4-[[2-(ethylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137161882
4-N-(2-chlorophenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935316
4-chloro-2-[[2-[[(2S)-1-hydroxypropan-2-yl]amino]-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol
CID 137061729
4-N-(2-chlorophenyl)-6-phenyl-2-N-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 112937321
3-[(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)amino]propan-1-ol
CID 5069912
4-N-(3-chloro-2-methylphenyl)-2-N-(3-methoxypropyl)-6-phenylpyrimidine-2,4-diamine
CID 112935319
3-[[4-[2-(5-chloro-2-methylanilino)pyrimidin-4-yl]-2-pyridinyl]amino]propan-1-ol
CID 19689540
2,6-dichloro-4-[[2-(2-hydroxyethylamino)-6-pyridin-2-ylpyrimidin-4-yl]amino]phenol
CID 137061753
4-(2-chloro-4-iodoanilino)butan-1-ol
CID 107606514
4-chloro-3-[[2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino]phenol
CID 10109502
4-chloro-3-pyridin-4-ylphenol
CID 46316948

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
The IUPAC name of 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol (CID 137061740) is 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol.
What is the SMILES notation for 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
The canonical SMILES for 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol is OCCCNc1nc(Nc2ccc(O)cc2Cl)cc(-c2ccncc2)n1.
What is the InChIKey of 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
The InChIKey is WWUZPIOURLLQRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN5O2/c19-14-10-13(26)2-3-15(14)22-17-11-16(12-4-7-20-8-5-12)23-18(24-17)21-6-1-9-25/h2-5,7-8,10-11,25-26H,1,6,9H2,(H2,21,22,23,24).
What are the key properties of 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol?
3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol has a molecular weight of 371.83 g/mol, XLogP of 3.44, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-[[2-(3-hydroxypropylamino)-6-pyridin-4-ylpyrimidin-4-yl]amino]phenol is sourced from PubChem (CID 137061740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).