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

C9H10F2N2O2 — CID 103241902

IUPAC2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C9H10F2N2O2/c10-6(11)4-15-8-3-7(14)12-9(13-8)5-1-2-5/h3,5-6H,1-2,4H2,(H,12,13,14)
InChIKeyWXQKHWVECHVTQH-UHFFFAOYSA-N
MW216.19 g/mol
LogP1.29
Rot. Bonds4

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

2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (PubChem CID 103241902) has the molecular formula C9H10F2N2O2 and a molecular weight of 216.19 g/mol. Its IUPAC name is 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
PubChem CID103241902
Molecular FormulaC9H10F2N2O2
Molecular Weight216.19 g/mol
Exact Mass216.07
IUPAC Name2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
SMILESO=c1cc(OCC(F)F)nc(C2CC2)[nH]1
InChIInChI=1S/C9H10F2N2O2/c10-6(11)4-15-8-3-7(14)12-9(13-8)5-1-2-5/h3,5-6H,1-2,4H2,(H,12,13,14)
InChIKeyWXQKHWVECHVTQH-UHFFFAOYSA-N
XLogP1.29
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.19
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-tert-butyl-4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 14801498
2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241790
4-(cyclopropylmethoxy)-5-fluoro-2-methyl-1H-pyrimidin-6-one
CID 134556313
4-(cyclopropylmethoxy)-2-ethyl-5-fluoro-1H-pyrimidin-6-one
CID 134559282
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
2-cyclopropyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240401
2-methyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240403
2-ethyl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240404
2-propan-2-yl-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 103240409
2-cyclopropyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240545
2-ethyl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240550
2-propan-2-yl-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240554

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one (CID 103241902) is 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is O=c1cc(OCC(F)F)nc(C2CC2)[nH]1.
What is the InChIKey of 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
The InChIKey is WXQKHWVECHVTQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N2O2/c10-6(11)4-15-8-3-7(14)12-9(13-8)5-1-2-5/h3,5-6H,1-2,4H2,(H,12,13,14).
What are the key properties of 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one?
2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one has a molecular weight of 216.19 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(2,2-difluoroethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 103241902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).