2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol

C21H20ClN3O — CID 90113138

IUPAC2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H20ClN3O/c22-17-3-1-2-16(12-17)21-24-19(15-6-7-15)13-20(25-21)23-18-8-4-14(5-9-18)10-11-26/h1-5,8-9,12-13,15,26H,6-7,10-11H2,(H,23,24,25)
InChIKeyRKYFFITUECTMEL-UHFFFAOYSA-N
MW365.86 g/mol
LogP4.95
Rot. Bonds6

About 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol

2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol (PubChem CID 90113138) has the molecular formula C21H20ClN3O and a molecular weight of 365.86 g/mol. Its IUPAC name is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol
PubChem CID90113138
Molecular FormulaC21H20ClN3O
Molecular Weight365.86 g/mol
Exact Mass365.13
IUPAC Name2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol
SMILESOCCc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1
InChIInChI=1S/C21H20ClN3O/c22-17-3-1-2-16(12-17)21-24-19(15-6-7-15)13-20(25-21)23-18-8-4-14(5-9-18)10-11-26/h1-5,8-9,12-13,15,26H,6-7,10-11H2,(H,23,24,25)
InChIKeyRKYFFITUECTMEL-UHFFFAOYSA-N
XLogP4.95
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.86
LogP ≤ 54.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol 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

2-(4-{[4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl]amino}phenyl)ethan-1-ol
CID 74221301
(4-{[4-(3-Chlorophenyl)-6-Cyclopropyl-1,3,5-Triazin-2-Yl]amino}phenyl)acetic Acid
CID 74221165
3-(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-2-yl)amino)phenyl)propan-1-ol
CID 74221498
2-[[6-(3-Chlorophenyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 44203732
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)methyl)phenyl)ethanol
CID 74221427
(4-((4-(3-Chlorophenyl)-6-ethyl-1,3,5-triazin-yl)amino)phenyl)methanol
CID 74221497
2-(4-((2-(3-Chlorophenyl)-6-ethylpyrimidin-4-yl)amino)phenyl)ethanol
CID 90110094
2-(4-((2-Cyclopentyl-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90112298
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyridin-4-yl)amino)phenyl)ethanol
CID 90112745
2-(4-((2-(3-Chlorophenyl)-6-(trifluoromethyl)pyrimidin-4-yl)amino)phenyl)ethanol
CID 90112835
US11401286, Example 205
CID 90109857
3-(4-((2-(3-Chlorophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino)phenyl)-1,1,1-trifluoropropan-2-ol
CID 90109898

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol?
The IUPAC name of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol (CID 90113138) is 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol.
What is the SMILES notation for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol?
The canonical SMILES for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol is OCCc1ccc(Nc2cc(C3CC3)nc(-c3cccc(Cl)c3)n2)cc1.
What is the InChIKey of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol?
The InChIKey is RKYFFITUECTMEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O/c22-17-3-1-2-16(12-17)21-24-19(15-6-7-15)13-20(25-21)23-18-8-4-14(5-9-18)10-11-26/h1-5,8-9,12-13,15,26H,6-7,10-11H2,(H,23,24,25).
What are the key properties of 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol?
2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol has a molecular weight of 365.86 g/mol, XLogP of 4.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2-(3-chlorophenyl)-6-cyclopropylpyrimidin-4-yl]amino]phenyl]ethanol is sourced from PubChem (CID 90113138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).