4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

C16H17F2N3O2 — CID 135434839

IUPAC4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C16H17F2N3O2/c1-10-14(9-11-12(17)3-2-4-13(11)18)19-16(20-15(10)22)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22)
InChIKeyUDOJHIAHSXZNTA-UHFFFAOYSA-N
MW321.33 g/mol
LogP1.78
Rot. Bonds3

About 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135434839) has the molecular formula C16H17F2N3O2 and a molecular weight of 321.33 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135434839
Molecular FormulaC16H17F2N3O2
Molecular Weight321.33 g/mol
Exact Mass321.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C16H17F2N3O2/c1-10-14(9-11-12(17)3-2-4-13(11)18)19-16(20-15(10)22)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22)
InChIKeyUDOJHIAHSXZNTA-UHFFFAOYSA-N
XLogP1.78
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135402831
6-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-4-one
CID 135406941
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
2-[(2R)-2-benzylazepan-1-yl]-4-[(2R)-2-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 156442641
2-[(2R)-2-benzylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156458080
2-[(2R)-2-benzylazepan-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156458088
2-[(2S,3R)-2-benzyl-3-methylpyrrolidin-1-yl]-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 156458277
4-[1-(2,6-difluorophenyl)ethyl]-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846089
4-[1-(2,6-difluorophenyl)ethyl]-2-[isopropyl(methyl)amino]-5-methyl-1H-pyrimidin-6-one
CID 135846095
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846117
4-[(2,6-difluorophenyl)methyl]-2-morpholino-1H-pyrimidin-6-one
CID 135434832
4-[(2,6-difluorophenyl)methyl]-2-(1-piperidyl)-1H-pyrimidin-6-one
CID 135434834

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135434839) is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is UDOJHIAHSXZNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O2/c1-10-14(9-11-12(17)3-2-4-13(11)18)19-16(20-15(10)22)21-5-7-23-8-6-21/h2-4H,5-9H2,1H3,(H,19,20,22).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 321.33 g/mol, XLogP of 1.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135434839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).