2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol

C8H10ClF2N3O — CID 107484163

IUPAC2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1ncc(Cl)cn1
InChIInChI=1S/C8H10ClF2N3O/c9-6-3-12-8(13-4-6)14(1-2-15)5-7(10)11/h3-4,7,15H,1-2,5H2
InChIKeyBTRUEGHSUPKGNH-UHFFFAOYSA-N
MW237.64 g/mol
LogP1.19
Rot. Bonds5

About 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol

2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107484163) has the molecular formula C8H10ClF2N3O and a molecular weight of 237.64 g/mol. Its IUPAC name is 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107484163
Molecular FormulaC8H10ClF2N3O
Molecular Weight237.64 g/mol
Exact Mass237.05
IUPAC Name2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESOCCN(CC(F)F)c1ncc(Cl)cn1
InChIInChI=1S/C8H10ClF2N3O/c9-6-3-12-8(13-4-6)14(1-2-15)5-7(10)11/h3-4,7,15H,1-2,5H2
InChIKeyBTRUEGHSUPKGNH-UHFFFAOYSA-N
XLogP1.19
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.64
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(aminomethyl)pyrimidin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107542342
2-[(5-aminopyrazin-2-yl)-(2,2-difluoroethyl)amino]ethanol
CID 107495031
2-[[5-(aminomethyl)pyrazin-2-yl]-(2,2-difluoroethyl)amino]ethanol
CID 107478418
2-[2,2-difluoroethyl-[5-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107481030
N'-(2,2-difluoroethyl)-N'-(5-iodopyrimidin-2-yl)ethane-1,2-diamine
CID 107494092
5-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyrazine-2-carbonitrile
CID 107479570
3-chloro-2-[2,2-difluoroethyl(2-hydroxyethyl)amino]pyridine-4-carbonitrile
CID 107479563
2-[(5-amino-3-methyl-2-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107478248
3,5-dichloro-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-2-amine
CID 107489974
2-[2,2-difluoroethyl-[3-(hydroxymethyl)-2-pyridinyl]amino]ethanol
CID 107484642
2-[2-hydroxyethyl(pyrimidin-2-yl)amino]ethanol
CID 61234744
2-[(3-bromo-4-pyridinyl)-(2,2-difluoroethyl)amino]ethanol
CID 107484125

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107484163) is 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol is OCCN(CC(F)F)c1ncc(Cl)cn1.
What is the InChIKey of 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is BTRUEGHSUPKGNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClF2N3O/c9-6-3-12-8(13-4-6)14(1-2-15)5-7(10)11/h3-4,7,15H,1-2,5H2.
What are the key properties of 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 237.64 g/mol, XLogP of 1.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloropyrimidin-2-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107484163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).