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

C16H17F2N3O — CID 135434834

IUPAC4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C16H17F2N3O/c17-13-5-4-6-14(18)12(13)9-11-10-15(22)20-16(19-11)21-7-2-1-3-8-21/h4-6,10H,1-3,7-9H2,(H,19,20,22)
InChIKeySOASNPRPIZLAMB-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.63
Rot. Bonds3

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

4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135434834) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135434834
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESO=c1cc(Cc2c(F)cccc2F)nc(N2CCCCC2)[nH]1
InChIInChI=1S/C16H17F2N3O/c17-13-5-4-6-14(18)12(13)9-11-10-15(22)20-16(19-11)21-7-2-1-3-8-21/h4-6,10H,1-3,7-9H2,(H,19,20,22)
InChIKeySOASNPRPIZLAMB-UHFFFAOYSA-N
XLogP2.63
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.63
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]-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
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
4-Hydroxy-2-(4-methylpiperidin-1-yl)-6-phenylpyrimidine-5-carbonitrile
CID 135497667

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 135434834) is 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one is O=c1cc(Cc2c(F)cccc2F)nc(N2CCCCC2)[nH]1.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is SOASNPRPIZLAMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c17-13-5-4-6-14(18)12(13)9-11-10-15(22)20-16(19-11)21-7-2-1-3-8-21/h4-6,10H,1-3,7-9H2,(H,19,20,22).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 305.33 g/mol, XLogP of 2.63, 3 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-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135434834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).