2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol

C18H16ClN3O — CID 134147069

IUPAC2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c19-15-8-4-7-14(11-15)16-12-21-18(20-9-10-23)22-17(16)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,20,21,22)
InChIKeyNIADPPGZUWDWLZ-UHFFFAOYSA-N
MW325.80 g/mol
LogP3.87
Rot. Bonds5

About 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol

2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol (PubChem CID 134147069) has the molecular formula C18H16ClN3O and a molecular weight of 325.80 g/mol. Its IUPAC name is 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol
PubChem CID134147069
Molecular FormulaC18H16ClN3O
Molecular Weight325.80 g/mol
Exact Mass325.10
IUPAC Name2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol
SMILESOCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1
InChIInChI=1S/C18H16ClN3O/c19-15-8-4-7-14(11-15)16-12-21-18(20-9-10-23)22-17(16)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,20,21,22)
InChIKeyNIADPPGZUWDWLZ-UHFFFAOYSA-N
XLogP3.87
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.80
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol (CID 134147069) is 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol is OCCNc1ncc(-c2cccc(Cl)c2)c(-c2ccccc2)n1.
What is the InChIKey of 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol?
The InChIKey is NIADPPGZUWDWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O/c19-15-8-4-7-14(11-15)16-12-21-18(20-9-10-23)22-17(16)13-5-2-1-3-6-13/h1-8,11-12,23H,9-10H2,(H,20,21,22).
What are the key properties of 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol?
2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol has a molecular weight of 325.80 g/mol, XLogP of 3.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(3-chlorophenyl)-4-phenylpyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 134147069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).