4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one

C15H17F2N3O — CID 135846075

IUPAC4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)N(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
InChIInChI=1S/C15H17F2N3O/c1-9(2)20(3)15-18-10(8-14(21)19-15)7-11-12(16)5-4-6-13(11)17/h4-6,8-9H,7H2,1-3H3,(H,18,19,21)
InChIKeyHNJCAQRJRKXGGV-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.48
Rot. Bonds4

About 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one

4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135846075) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one
PubChem CID135846075
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)N(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1
InChIInChI=1S/C15H17F2N3O/c1-9(2)20(3)15-18-10(8-14(21)19-15)7-11-12(16)5-4-6-13(11)17/h4-6,8-9H,7H2,1-3H3,(H,18,19,21)
InChIKeyHNJCAQRJRKXGGV-UHFFFAOYSA-N
XLogP2.48
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,6-difluorophenyl)methyl]-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135402777
2-butan-2-ylsulfanyl-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402750
4-[(2,6-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135846077
2-cyclopentylsulfanyl-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402751
2-[2-(dimethylamino)ethyl-methylamino]-4-[(4-methoxyphenyl)methyl]-1H-pyrimidin-6-one
CID 136671273
4-[1-(2,6-difluorophenyl)ethyl]-2-[(4-methoxyphenyl)methyl-methylamino]-1H-pyrimidin-6-one
CID 135981189
2-(dimethylamino)-4-propyl-1H-pyrimidin-6-one
CID 135973670
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135846106
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-ethyl-1H-pyrimidin-6-one
CID 135771930
4-[2-(aminomethyl)-3-fluorophenoxy]-2-methyl-1H-pyrimidin-6-one
CID 114585940
2-[(2,6-difluorophenyl)methyl]-1,3-difluorobenzene
CID 15013079
4-[(2,6-difluorophenyl)methyl]-1H-pyridazin-6-one
CID 141369633

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one (CID 135846075) is 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one is CC(C)N(C)c1nc(Cc2c(F)cccc2F)cc(=O)[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is HNJCAQRJRKXGGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-9(2)20(3)15-18-10(8-14(21)19-15)7-11-12(16)5-4-6-13(11)17/h4-6,8-9H,7H2,1-3H3,(H,18,19,21).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 293.32 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-2-[methyl(propan-2-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135846075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).