2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol

C11H16ClF2N3O — CID 107482091

IUPAC2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1nc(Cl)c(C)c(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H16ClF2N3O/c1-3-9-15-10(12)7(2)11(16-9)17(4-5-18)6-8(13)14/h8,18H,3-6H2,1-2H3
InChIKeyUGXLOBVPRNSLFJ-UHFFFAOYSA-N
MW279.72 g/mol
LogP2.06
Rot. Bonds6

About 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol

2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482091) has the molecular formula C11H16ClF2N3O and a molecular weight of 279.72 g/mol. Its IUPAC name is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482091
Molecular FormulaC11H16ClF2N3O
Molecular Weight279.72 g/mol
Exact Mass279.09
IUPAC Name2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1nc(Cl)c(C)c(N(CCO)CC(F)F)n1
InChIInChI=1S/C11H16ClF2N3O/c1-3-9-15-10(12)7(2)11(16-9)17(4-5-18)6-8(13)14/h8,18H,3-6H2,1-2H3
InChIKeyUGXLOBVPRNSLFJ-UHFFFAOYSA-N
XLogP2.06
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.72
LogP ≤ 52.06
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-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107482091) is 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is CCc1nc(Cl)c(C)c(N(CCO)CC(F)F)n1.
What is the InChIKey of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is UGXLOBVPRNSLFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClF2N3O/c1-3-9-15-10(12)7(2)11(16-9)17(4-5-18)6-8(13)14/h8,18H,3-6H2,1-2H3.
What are the key properties of 2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(6-chloro-2-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 279.72 g/mol, XLogP of 2.06, 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-ethyl-5-methylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).