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

C10H14ClF2N3O — CID 107482115

IUPAC2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1c(Cl)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C10H14ClF2N3O/c1-2-7-9(11)14-6-15-10(7)16(3-4-17)5-8(12)13/h6,8,17H,2-5H2,1H3
InChIKeyLNNYUVRZXJYEEQ-UHFFFAOYSA-N
MW265.69 g/mol
LogP1.76
Rot. Bonds6

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

2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (PubChem CID 107482115) has the molecular formula C10H14ClF2N3O and a molecular weight of 265.69 g/mol. Its IUPAC name is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.

Molecular Properties

Compound Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
PubChem CID107482115
Molecular FormulaC10H14ClF2N3O
Molecular Weight265.69 g/mol
Exact Mass265.08
IUPAC Name2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol
SMILESCCc1c(Cl)ncnc1N(CCO)CC(F)F
InChIInChI=1S/C10H14ClF2N3O/c1-2-7-9(11)14-6-15-10(7)16(3-4-17)5-8(12)13/h6,8,17H,2-5H2,1H3
InChIKeyLNNYUVRZXJYEEQ-UHFFFAOYSA-N
XLogP1.76
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.69
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The IUPAC name of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol (CID 107482115) is 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol.
What is the SMILES notation for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The canonical SMILES for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is CCc1c(Cl)ncnc1N(CCO)CC(F)F.
What is the InChIKey of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
The InChIKey is LNNYUVRZXJYEEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClF2N3O/c1-2-7-9(11)14-6-15-10(7)16(3-4-17)5-8(12)13/h6,8,17H,2-5H2,1H3.
What are the key properties of 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol?
2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol has a molecular weight of 265.69 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-chloro-5-ethylpyrimidin-4-yl)-(2,2-difluoroethyl)amino]ethanol is sourced from PubChem (CID 107482115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).