5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one

C15H18F2N2O — CID 59317958

IUPAC5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCCC1=NC(C)C(Cc2cccc(F)c2F)C(=O)N1
InChIInChI=1S/C15H18F2N2O/c1-3-5-13-18-9(2)11(15(20)19-13)8-10-6-4-7-12(16)14(10)17/h4,6-7,9,11H,3,5,8H2,1-2H3,(H,18,19,20)
InChIKeyYIRYHTHUPMSRIS-UHFFFAOYSA-N
MW280.32 g/mol
LogP2.84
Rot. Bonds4

About 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one

5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 59317958) has the molecular formula C15H18F2N2O and a molecular weight of 280.32 g/mol. Its IUPAC name is 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID59317958
Molecular FormulaC15H18F2N2O
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Name5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESCCCC1=NC(C)C(Cc2cccc(F)c2F)C(=O)N1
InChIInChI=1S/C15H18F2N2O/c1-3-5-13-18-9(2)11(15(20)19-13)8-10-6-4-7-12(16)14(10)17/h4,6-7,9,11H,3,5,8H2,1-2H3,(H,18,19,20)
InChIKeyYIRYHTHUPMSRIS-UHFFFAOYSA-N
XLogP2.84
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one (CID 59317958) is 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one is CCCC1=NC(C)C(Cc2cccc(F)c2F)C(=O)N1.
What is the InChIKey of 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is YIRYHTHUPMSRIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O/c1-3-5-13-18-9(2)11(15(20)19-13)8-10-6-4-7-12(16)14(10)17/h4,6-7,9,11H,3,5,8H2,1-2H3,(H,18,19,20).
What are the key properties of 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one?
5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 280.32 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-difluorophenyl)methyl]-4-methyl-2-propyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 59317958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).