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

C7H8F2N2O2 — CID 103241905

IUPAC4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-4-10-6(12)2-7(11-4)13-3-5(8)9/h2,5H,3H2,1H3,(H,10,11,12)
InChIKeyUAYQNXGFWGTFIP-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.72
Rot. Bonds3

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

4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one (PubChem CID 103241905) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one
PubChem CID103241905
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one
SMILESCc1nc(OCC(F)F)cc(=O)[nH]1
InChIInChI=1S/C7H8F2N2O2/c1-4-10-6(12)2-7(11-4)13-3-5(8)9/h2,5H,3H2,1H3,(H,10,11,12)
InChIKeyUAYQNXGFWGTFIP-UHFFFAOYSA-N
XLogP0.72
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Ethyl-4-ethoxy-6-hydroxypyrimidine
CID 12940703
2-tert-butyl-4-(difluoromethoxy)-1H-pyrimidin-6-one
CID 14801498
2-(difluoromethyl)-4-hydroxy-1H-pyrimidin-6-one
CID 59343587
4-methoxy-2-(trifluoromethyl)-1H-pyrimidin-6-one
CID 69908735
2-methyl-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241790
[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-4-yl] propanoate
CID 123625727
4-(difluoromethoxy)-2-methyl-1H-pyrimidin-6-one
CID 139637763
4-(2,2-difluoropropoxy)-2-methyl-1H-pyrimidin-6-one
CID 157879767
4(1H)-Pyrimidinone, 6-ethoxy-2-methyl-
CID 550166
[6-oxo-2-(trifluoromethyl)-1H-pyrimidin-4-yl] acetate
CID 87944928
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one (CID 103241905) is 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one is Cc1nc(OCC(F)F)cc(=O)[nH]1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one?
The InChIKey is UAYQNXGFWGTFIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-4-10-6(12)2-7(11-4)13-3-5(8)9/h2,5H,3H2,1H3,(H,10,11,12).
What are the key properties of 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one?
4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one has a molecular weight of 190.15 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-2-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 103241905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).