3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one

C12H16F2N2O2 — CID 114225239

IUPAC3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCC(F)(F)C1
InChIInChI=1S/C12H16F2N2O2/c1-8-5-10(17)16(11(15-8)18-2)7-9-3-4-12(13,14)6-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyMAMVVLBWSKWMTN-UHFFFAOYSA-N
MW258.27 g/mol
LogP2.00
Rot. Bonds3

About 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one

3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one (PubChem CID 114225239) has the molecular formula C12H16F2N2O2 and a molecular weight of 258.27 g/mol. Its IUPAC name is 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
PubChem CID114225239
Molecular FormulaC12H16F2N2O2
Molecular Weight258.27 g/mol
Exact Mass258.12
IUPAC Name3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one
SMILESCOc1nc(C)cc(=O)n1CC1CCC(F)(F)C1
InChIInChI=1S/C12H16F2N2O2/c1-8-5-10(17)16(11(15-8)18-2)7-9-3-4-12(13,14)6-9/h5,9H,3-4,6-7H2,1-2H3
InChIKeyMAMVVLBWSKWMTN-UHFFFAOYSA-N
XLogP2.00
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.27
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The IUPAC name of 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one (CID 114225239) is 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one is COc1nc(C)cc(=O)n1CC1CCC(F)(F)C1.
What is the InChIKey of 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
The InChIKey is MAMVVLBWSKWMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O2/c1-8-5-10(17)16(11(15-8)18-2)7-9-3-4-12(13,14)6-9/h5,9H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one?
3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one has a molecular weight of 258.27 g/mol, XLogP of 2.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,3-difluorocyclopentyl)methyl]-2-methoxy-6-methylpyrimidin-4-one is sourced from PubChem (CID 114225239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).