4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one

C15H17F2N3O — CID 135771929

IUPAC4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCCC(c1cc(=O)[nH]c(N(C)C)n1)c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3O/c1-4-9(14-10(16)6-5-7-11(14)17)12-8-13(21)19-15(18-12)20(2)3/h5-9H,4H2,1-3H3,(H,18,19,21)
InChIKeyBGKLIWYEOPOXND-UHFFFAOYSA-N
MW293.32 g/mol
LogP2.66
Rot. Bonds4

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

4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one (PubChem CID 135771929) has the molecular formula C15H17F2N3O and a molecular weight of 293.32 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one
PubChem CID135771929
Molecular FormulaC15H17F2N3O
Molecular Weight293.32 g/mol
Exact Mass293.13
IUPAC Name4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one
SMILESCCC(c1cc(=O)[nH]c(N(C)C)n1)c1c(F)cccc1F
InChIInChI=1S/C15H17F2N3O/c1-4-9(14-10(16)6-5-7-11(14)17)12-8-13(21)19-15(18-12)20(2)3/h5-9H,4H2,1-3H3,(H,18,19,21)
InChIKeyBGKLIWYEOPOXND-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-Amino-6-(2-phenylethyl)pyrimidin-4(3h)-one
CID 135408658
6-[1-(2,6-difluorophenyl)ethyl]-2-(dimethylamino)-5-methyl-1H-pyrimidin-4-one
CID 135406941
6-Methyl-2-[(phenylmethyl)amino]-4(3H)-pyrimidinone
CID 135421723
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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one (CID 135771929) is 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one is CCC(c1cc(=O)[nH]c(N(C)C)n1)c1c(F)cccc1F.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
The InChIKey is BGKLIWYEOPOXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O/c1-4-9(14-10(16)6-5-7-11(14)17)12-8-13(21)19-15(18-12)20(2)3/h5-9H,4H2,1-3H3,(H,18,19,21).
What are the key properties of 4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one?
4-[1-(2,6-difluorophenyl)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one has a molecular weight of 293.32 g/mol, XLogP of 2.66, 4 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)propyl]-2-(dimethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135771929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).