2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one

C8H10F2N2O — CID 170577109

IUPAC2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C(C)(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-3-5-4-6(13)12-7(11-5)8(2,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyIORSUCYZGJHCOK-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.44
Rot. Bonds2

About 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one

2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one (PubChem CID 170577109) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one
PubChem CID170577109
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)[nH]c(C(C)(F)F)n1
InChIInChI=1S/C8H10F2N2O/c1-3-5-4-6(13)12-7(11-5)8(2,9)10/h4H,3H2,1-2H3,(H,11,12,13)
InChIKeyIORSUCYZGJHCOK-UHFFFAOYSA-N
XLogP1.44
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one (CID 170577109) is 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one is CCc1cc(=O)[nH]c(C(C)(F)F)n1.
What is the InChIKey of 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one?
The InChIKey is IORSUCYZGJHCOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-3-5-4-6(13)12-7(11-5)8(2,9)10/h4H,3H2,1-2H3,(H,11,12,13).
What are the key properties of 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one?
2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one has a molecular weight of 188.18 g/mol, XLogP of 1.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,1-difluoroethyl)-4-ethyl-1H-pyrimidin-6-one is sourced from PubChem (CID 170577109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).