2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol

C7H8ClF2N3O — CID 169119169

IUPAC2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(Cl)ncc1C(F)F
InChIInChI=1S/C7H8ClF2N3O/c8-7-12-3-4(5(9)10)6(13-7)11-1-2-14/h3,5,14H,1-2H2,(H,11,12,13)
InChIKeyORADCGFCAOVHRK-UHFFFAOYSA-N
MW223.61 g/mol
LogP1.47
Rot. Bonds4

About 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol

2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol (PubChem CID 169119169) has the molecular formula C7H8ClF2N3O and a molecular weight of 223.61 g/mol. Its IUPAC name is 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol
PubChem CID169119169
Molecular FormulaC7H8ClF2N3O
Molecular Weight223.61 g/mol
Exact Mass223.03
IUPAC Name2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol
SMILESOCCNc1nc(Cl)ncc1C(F)F
InChIInChI=1S/C7H8ClF2N3O/c8-7-12-3-4(5(9)10)6(13-7)11-1-2-14/h3,5,14H,1-2H2,(H,11,12,13)
InChIKeyORADCGFCAOVHRK-UHFFFAOYSA-N
XLogP1.47
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.61
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol?
The IUPAC name of 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol (CID 169119169) is 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol.
What is the SMILES notation for 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol?
The canonical SMILES for 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol is OCCNc1nc(Cl)ncc1C(F)F.
What is the InChIKey of 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol?
The InChIKey is ORADCGFCAOVHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF2N3O/c8-7-12-3-4(5(9)10)6(13-7)11-1-2-14/h3,5,14H,1-2H2,(H,11,12,13).
What are the key properties of 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol?
2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol has a molecular weight of 223.61 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-chloro-5-(difluoromethyl)pyrimidin-4-yl]amino]ethanol is sourced from PubChem (CID 169119169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).