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

C15H17F2N3O — CID 135406941

IUPAC4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(F)cccc2F)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C15H17F2N3O/c1-8(12-10(16)6-5-7-11(12)17)13-9(2)14(21)19-15(18-13)20(3)4/h5-8H,1-4H3,(H,18,19,21)
InChIKeyAUVZNKJXGYXDKP-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.57
Rot. Bonds3

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

4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one (PubChem CID 135406941) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
PubChem CID135406941
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(F)cccc2F)nc(N(C)C)[nH]c1=O
InChIInChI=1S/C15H17F2N3O/c1-8(12-10(16)6-5-7-11(12)17)13-9(2)14(21)19-15(18-13)20(3)4/h5-8H,1-4H3,(H,18,19,21)
InChIKeyAUVZNKJXGYXDKP-UHFFFAOYSA-N
XLogP2.57
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-1H-pyrimidin-6-one
CID 135402830
2-(cyclopentylamino)-4-[(2,6-difluorophenyl)methyl]-5-methyl-1H-pyrimidin-6-one
CID 135402831
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-1H-pyrimidin-6-one
CID 135402832
2-(cyclopentylamino)-4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-1H-pyrimidin-6-one
CID 135402833
6-[1-(2,6-Difluorophenyl)ethyl]-5-methyl-2-(propan-2-ylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402741
4(3H)-Pyrimidinone, 6-[1-(2,6-difluorophenyl)ethyl]-2-(ethylmethylamino)-5-methyl-
CID 135454796
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]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135846115
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-[methyl(propyl)amino]-1H-pyrimidin-6-one
CID 135846117
2-Phenethylamino-6-propyl-3H-pyrimidin-4-one
CID 135424365
6-[1-(2,6-Difluorophenyl)ethyl]-5-methyl-2-(methylsulfanyl)-3,4-dihydropyrimidin-4-one
CID 135402740

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one (CID 135406941) is 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one is Cc1c(C(C)c2c(F)cccc2F)nc(N(C)C)[nH]c1=O.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one?
The InChIKey is AUVZNKJXGYXDKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-8(12-10(16)6-5-7-11(12)17)13-9(2)14(21)19-15(18-13)20(3)4/h5-8H,1-4H3,(H,18,19,21).
What are the key properties of 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one?
4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one has a molecular weight of 293.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135406941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).