4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one

C11H15F2N3O2 — CID 139019362

IUPAC4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCC(C(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15F2N3O2/c1-18-6-8-14-9(4-10(17)15-8)16-3-2-7(5-16)11(12)13/h4,7,11H,2-3,5-6H2,1H3,(H,14,15,17)
InChIKeyNREOKNIGDVECCT-UHFFFAOYSA-N
MW259.26 g/mol
LogP1.01
Rot. Bonds4

About 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one

4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one (PubChem CID 139019362) has the molecular formula C11H15F2N3O2 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
PubChem CID139019362
Molecular FormulaC11H15F2N3O2
Molecular Weight259.26 g/mol
Exact Mass259.11
IUPAC Name4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one
SMILESCOCc1nc(N2CCC(C(F)F)C2)cc(=O)[nH]1
InChIInChI=1S/C11H15F2N3O2/c1-18-6-8-14-9(4-10(17)15-8)16-3-2-7(5-16)11(12)13/h4,7,11H,2-3,5-6H2,1H3,(H,14,15,17)
InChIKeyNREOKNIGDVECCT-UHFFFAOYSA-N
XLogP1.01
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-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

Frequently Asked Questions

What is the IUPAC name of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one (CID 139019362) is 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one is COCc1nc(N2CCC(C(F)F)C2)cc(=O)[nH]1.
What is the InChIKey of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is NREOKNIGDVECCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2N3O2/c1-18-6-8-14-9(4-10(17)15-8)16-3-2-7(5-16)11(12)13/h4,7,11H,2-3,5-6H2,1H3,(H,14,15,17).
What are the key properties of 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one?
4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 259.26 g/mol, XLogP of 1.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(difluoromethyl)pyrrolidin-1-yl]-2-(methoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 139019362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).