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

C14H14ClF2N3O — CID 107482127

IUPAC2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14ClF2N3O/c15-11-8-13(20(6-7-21)9-12(16)17)19-14(18-11)10-4-2-1-3-5-10/h1-5,8,12,21H,6-7,9H2
InChIKeyMWOVUUZMVAWZJC-UHFFFAOYSA-N
MW313.73 g/mol
LogP2.86
Rot. Bonds6

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

2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482127) has the molecular formula C14H14ClF2N3O and a molecular weight of 313.73 g/mol. Its IUPAC name is 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482127
Molecular FormulaC14H14ClF2N3O
Molecular Weight313.73 g/mol
Exact Mass313.08
IUPAC Name2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1cc(Cl)nc(-c2ccccc2)n1
InChIInChI=1S/C14H14ClF2N3O/c15-11-8-13(20(6-7-21)9-12(16)17)19-14(18-11)10-4-2-1-3-5-10/h1-5,8,12,21H,6-7,9H2
InChIKeyMWOVUUZMVAWZJC-UHFFFAOYSA-N
XLogP2.86
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.73
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107482127) is 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is OCCN(CC(F)F)c1cc(Cl)nc(-c2ccccc2)n1.
What is the InChIKey of 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is MWOVUUZMVAWZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClF2N3O/c15-11-8-13(20(6-7-21)9-12(16)17)19-14(18-11)10-4-2-1-3-5-10/h1-5,8,12,21H,6-7,9H2.
What are the key properties of 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 313.73 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-2-phenylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).