2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol

C12H11F2N3O — CID 116902253

IUPAC2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
SMILESNCC(O)c1nccc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H11F2N3O/c13-8-2-1-7(5-9(8)14)10-3-4-16-12(17-10)11(18)6-15/h1-5,11,18H,6,15H2
InChIKeyPMULKERXBNWWDS-UHFFFAOYSA-N
MW251.24 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol

2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol (PubChem CID 116902253) has the molecular formula C12H11F2N3O and a molecular weight of 251.24 g/mol. Its IUPAC name is 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol.

Molecular Properties

Compound Name2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
PubChem CID116902253
Molecular FormulaC12H11F2N3O
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol
SMILESNCC(O)c1nccc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C12H11F2N3O/c13-8-2-1-7(5-9(8)14)10-3-4-16-12(17-10)11(18)6-15/h1-5,11,18H,6,15H2
InChIKeyPMULKERXBNWWDS-UHFFFAOYSA-N
XLogP1.41
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-1-[4-(2,4-difluorophenyl)pyrimidin-2-yl]ethanol
CID 116902254
2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]butan-1-ol
CID 116903072
2-amino-1-[4-(3,4-difluorophenyl)phenyl]ethanol
CID 82296845
2-amino-1-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]ethanol
CID 116966829
2-[4-(4-fluoro-3-methylphenyl)pyrimidin-2-yl]butan-1-amine
CID 116903120
2-bromo-4-(3,4-difluorophenyl)pyrimidine
CID 116904257
[1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]cyclopropyl]methanamine
CID 116902550
2-amino-1-(4-naphthalen-1-ylpyrimidin-2-yl)ethanol
CID 116902289
2-amino-2-[4-(3-fluoro-4-methoxyphenyl)pyrimidin-2-yl]ethanol
CID 116902164
ethyl 4-(3,4-difluorophenyl)pyrimidine-2-carboxylate
CID 116903632
(E)-3-[4-(3,4-difluorophenyl)pyrimidin-2-yl]prop-2-enoic acid
CID 116901718
2-[4-(3,4-difluorophenyl)pyrimidin-2-yl]acetonitrile
CID 116900984

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol?
The IUPAC name of 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol (CID 116902253) is 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol.
What is the SMILES notation for 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol?
The canonical SMILES for 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol is NCC(O)c1nccc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol?
The InChIKey is PMULKERXBNWWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N3O/c13-8-2-1-7(5-9(8)14)10-3-4-16-12(17-10)11(18)6-15/h1-5,11,18H,6,15H2.
What are the key properties of 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol?
2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol has a molecular weight of 251.24 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-(3,4-difluorophenyl)pyrimidin-2-yl]ethanol is sourced from PubChem (CID 116902253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).