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

C9H10F2N2O — CID 170352103

IUPAC4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
SMILESCC(F)(F)c1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C9H10F2N2O/c1-9(10,11)8-12-6(5-2-3-5)4-7(14)13-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyCUEXRTVRIMYVOZ-UHFFFAOYSA-N
MW200.19 g/mol
LogP1.76
Rot. Bonds2

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

4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one (PubChem CID 170352103) has the molecular formula C9H10F2N2O and a molecular weight of 200.19 g/mol. Its IUPAC name is 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
PubChem CID170352103
Molecular FormulaC9H10F2N2O
Molecular Weight200.19 g/mol
Exact Mass200.08
IUPAC Name4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one
SMILESCC(F)(F)c1nc(C2CC2)cc(=O)[nH]1
InChIInChI=1S/C9H10F2N2O/c1-9(10,11)8-12-6(5-2-3-5)4-7(14)13-8/h4-5H,2-3H2,1H3,(H,12,13,14)
InChIKeyCUEXRTVRIMYVOZ-UHFFFAOYSA-N
XLogP1.76
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.19
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one (CID 170352103) is 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one is CC(F)(F)c1nc(C2CC2)cc(=O)[nH]1.
What is the InChIKey of 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
The InChIKey is CUEXRTVRIMYVOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O/c1-9(10,11)8-12-6(5-2-3-5)4-7(14)13-8/h4-5H,2-3H2,1H3,(H,12,13,14).
What are the key properties of 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one has a molecular weight of 200.19 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(1,1-difluoroethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 170352103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).