4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

C8H11F2N3O2 — CID 136737797

IUPAC4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC(F)F)nc[nH]1
InChIInChI=1S/C8H11F2N3O2/c9-6(10)4-13(1-2-14)7-3-8(15)12-5-11-7/h3,5-6,14H,1-2,4H2,(H,11,12,15)
InChIKeyIDWSXFJZVIIPSM-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.17
Rot. Bonds5

About 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one

4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136737797) has the molecular formula C8H11F2N3O2 and a molecular weight of 219.19 g/mol. Its IUPAC name is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
PubChem CID136737797
Molecular FormulaC8H11F2N3O2
Molecular Weight219.19 g/mol
Exact Mass219.08
IUPAC Name4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
SMILESO=c1cc(N(CCO)CC(F)F)nc[nH]1
InChIInChI=1S/C8H11F2N3O2/c9-6(10)4-13(1-2-14)7-3-8(15)12-5-11-7/h3,5-6,14H,1-2,4H2,(H,11,12,15)
InChIKeyIDWSXFJZVIIPSM-UHFFFAOYSA-N
XLogP-0.17
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-((2-Hydroxyethyl)amino)pyrimidin-4(1H)-one
CID 136271513
5-amino-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737793
5-bromo-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737794
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-ethyl-1H-pyrimidin-6-one
CID 136737795
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737798
5-chloro-4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one
CID 136737799
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737800
5-bromo-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737801
2-ethyl-4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737802
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-1H-pyrimidin-6-one
CID 136737804
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-5-iodo-1H-pyrimidin-6-one
CID 136737805
4-[2-hydroxyethyl(2,2,2-trifluoroethyl)amino]-2-methyl-1H-pyrimidin-6-one
CID 136737807

Frequently Asked Questions

What is the IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one (CID 136737797) is 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is O=c1cc(N(CCO)CC(F)F)nc[nH]1.
What is the InChIKey of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is IDWSXFJZVIIPSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F2N3O2/c9-6(10)4-13(1-2-14)7-3-8(15)12-5-11-7/h3,5-6,14H,1-2,4H2,(H,11,12,15).
What are the key properties of 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one?
4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 219.19 g/mol, XLogP of -0.17, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,2-difluoroethyl(2-hydroxyethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136737797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).