2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol

C12H12ClN3O — CID 88751425

IUPAC2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol
SMILESOCCNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C12H12ClN3O/c13-10-8-11(14-6-7-17)16-12(15-10)9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,14,15,16)
InChIKeyJSVYQZUYWRFMHV-UHFFFAOYSA-N
MW249.70 g/mol
LogP2.20
Rot. Bonds4

About 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol

2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol (PubChem CID 88751425) has the molecular formula C12H12ClN3O and a molecular weight of 249.70 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol
PubChem CID88751425
Molecular FormulaC12H12ClN3O
Molecular Weight249.70 g/mol
Exact Mass249.07
IUPAC Name2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol
SMILESOCCNc1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C12H12ClN3O/c13-10-8-11(14-6-7-17)16-12(15-10)9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,14,15,16)
InChIKeyJSVYQZUYWRFMHV-UHFFFAOYSA-N
XLogP2.20
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.70
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol (CID 88751425) is 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol is OCCNc1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol?
The InChIKey is JSVYQZUYWRFMHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3O/c13-10-8-11(14-6-7-17)16-12(15-10)9-4-2-1-3-5-9/h1-5,8,17H,6-7H2,(H,14,15,16).
What are the key properties of 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol?
2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol has a molecular weight of 249.70 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylpyrimidin-4-yl)amino]ethanol is sourced from PubChem (CID 88751425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).