4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one

C7H8F2N2O3 — CID 103241904

IUPAC4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC(F)F)nc[nH]c1=O
InChIInChI=1S/C7H8F2N2O3/c1-13-5-6(12)10-3-11-7(5)14-2-4(8)9/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyPBPPYCNFRCHEKO-UHFFFAOYSA-N
MW206.15 g/mol
LogP0.42
Rot. Bonds4

About 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one

4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one (PubChem CID 103241904) has the molecular formula C7H8F2N2O3 and a molecular weight of 206.15 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
PubChem CID103241904
Molecular FormulaC7H8F2N2O3
Molecular Weight206.15 g/mol
Exact Mass206.05
IUPAC Name4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(OCC(F)F)nc[nH]c1=O
InChIInChI=1S/C7H8F2N2O3/c1-13-5-6(12)10-3-11-7(5)14-2-4(8)9/h3-4H,2H2,1H3,(H,10,11,12)
InChIKeyPBPPYCNFRCHEKO-UHFFFAOYSA-N
XLogP0.42
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-ethoxy-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 136015807
5-(2,2-difluoroethoxy)-1H-pyrimidin-6-one
CID 178112084
5-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 178112152
5-methoxy-4-(2,2,2-trifluoroethoxy)-1H-pyrimidin-6-one
CID 103240548
5-methoxy-4-(2,2,3,3,3-pentafluoropropoxy)-1H-pyrimidin-6-one
CID 103241789
5-methoxy-4-(4,4,4-trifluorobutoxy)-1H-pyrimidin-6-one
CID 103241914
5-methoxy-4-(3,3,3-trifluoropropoxy)-1H-pyrimidin-6-one
CID 103241926
5-methoxy-4-(2,2,3,3-tetrafluoropropoxy)-1H-pyrimidin-6-one
CID 113792594
5-methoxy-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819405
4-[2-(2,2-difluoroethoxy)ethylamino]-5-methoxy-1H-pyrimidin-6-one
CID 136896829
5-methoxy-4-(2,2,2-trifluoroethylamino)-1H-pyrimidin-6-one
CID 136973716
5-methoxy-4-(3,3,3-trifluoropropylamino)-1H-pyrimidin-6-one
CID 136975607

Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one (CID 103241904) is 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one is COc1c(OCC(F)F)nc[nH]c1=O.
What is the InChIKey of 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is PBPPYCNFRCHEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O3/c1-13-5-6(12)10-3-11-7(5)14-2-4(8)9/h3-4H,2H2,1H3,(H,10,11,12).
What are the key properties of 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one?
4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 206.15 g/mol, XLogP of 0.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).