6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one

C10H12F2N2O2 — CID 126954698

IUPAC6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one
SMILESCn1cnc(OCC2CC(F)(F)C2)cc1=O
InChIInChI=1S/C10H12F2N2O2/c1-14-6-13-8(2-9(14)15)16-5-7-3-10(11,12)4-7/h2,6-7H,3-5H2,1H3
InChIKeyVGPHVDJWLNUADC-UHFFFAOYSA-N
MW230.21 g/mol
LogP1.20
Rot. Bonds3

About 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one

6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one (PubChem CID 126954698) has the molecular formula C10H12F2N2O2 and a molecular weight of 230.21 g/mol. Its IUPAC name is 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one.

Molecular Properties

Compound Name6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one
PubChem CID126954698
Molecular FormulaC10H12F2N2O2
Molecular Weight230.21 g/mol
Exact Mass230.09
IUPAC Name6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one
SMILESCn1cnc(OCC2CC(F)(F)C2)cc1=O
InChIInChI=1S/C10H12F2N2O2/c1-14-6-13-8(2-9(14)15)16-5-7-3-10(11,12)4-7/h2,6-7H,3-5H2,1H3
InChIKeyVGPHVDJWLNUADC-UHFFFAOYSA-N
XLogP1.20
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-(cyclobutylmethoxy)-3-methylpyrimidin-4-one
CID 126954677
3-methyl-6-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]pyrimidin-4-one
CID 126874409
3-tert-butyl-6-[(3,3-difluorocyclobutyl)methoxy]pyridazine
CID 126954339
6-amino-3-methylpyrimidin-4-one;ethane
CID 155738630
6-(3-fluoroazetidin-1-yl)-3-methylpyrimidin-4-one
CID 171999304
6-[6-[(3,3-difluorocyclobutyl)methoxy]-2-pyridinyl]-3-methoxy-4-methylpyridazine
CID 177245310
ethane;3-methyl-6-(propan-2-ylamino)pyrimidin-4-one
CID 169237699
5-chloro-6-[(3,3-difluorocyclobutyl)methoxy]pyridine-3-carbonitrile
CID 126954354
methyl 1-[(3,3-difluorocyclobutyl)methyl]imidazole-4-carboxylate
CID 170957684
1-chloro-2-[(3,3-difluorocyclobutyl)methoxy]benzene
CID 141432461
4-[(3,3-difluorocyclobutyl)methoxy]-8-ethyl-2-propan-2-ylquinoline
CID 136576079
methyl 1-methyl-6-oxopyrimidine-4-carboxylate
CID 141087181

Frequently Asked Questions

What is the IUPAC name of 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one?
The IUPAC name of 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one (CID 126954698) is 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one.
What is the SMILES notation for 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one?
The canonical SMILES for 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one is Cn1cnc(OCC2CC(F)(F)C2)cc1=O.
What is the InChIKey of 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one?
The InChIKey is VGPHVDJWLNUADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2O2/c1-14-6-13-8(2-9(14)15)16-5-7-3-10(11,12)4-7/h2,6-7H,3-5H2,1H3.
What are the key properties of 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one?
6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one has a molecular weight of 230.21 g/mol, XLogP of 1.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3,3-difluorocyclobutyl)methoxy]-3-methylpyrimidin-4-one is sourced from PubChem (CID 126954698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).