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

C17H19F2N3O — CID 135846108

IUPAC4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O/c1-11-15(10-12-13(18)6-5-7-14(12)19)20-17(21-16(11)23)22-8-3-2-4-9-22/h5-7H,2-4,8-10H2,1H3,(H,20,21,23)
InChIKeyCFNQXHVFUPETIB-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.94
Rot. Bonds3

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

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135846108) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
PubChem CID135846108
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCCCC2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O/c1-11-15(10-12-13(18)6-5-7-14(12)19)20-17(21-16(11)23)22-8-3-2-4-9-22/h5-7H,2-4,8-10H2,1H3,(H,20,21,23)
InChIKeyCFNQXHVFUPETIB-UHFFFAOYSA-N
XLogP2.94
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[1-(2,6-difluorophenyl)cyclopropyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 137250031
8-fluoro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 136617678
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(naphthalen-1-ylamino)-1H-pyrimidin-6-one
CID 135524738
2-(azepan-1-yl)-5-methyl-4-phenyl-1H-pyrimidin-6-one
CID 136764405
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(N-methylanilino)-1H-pyrimidin-6-one
CID 135846106
4-[(2-chloro-6-fluorophenyl)methyl]-5-methyl-2-(2-phenylethylamino)-1H-pyrimidin-6-one
CID 137235349
4-[(2,6-difluorophenyl)methyl]-2-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135846077
(5R)-5-(2-chloro-6-fluorophenyl)-2-piperidin-1-yl-3,5,6,8-tetrahydropyrido[2,3-d]pyrimidine-4,7-dione
CID 137222470
2-[4-(4-fluorophenyl)piperazin-1-yl]-4-methyl-5-[(4-methylphenyl)methyl]-1H-pyrimidin-6-one
CID 135624606
3-(azepan-1-yl)-6-[(4-methoxyphenyl)methyl]-4H-1,2,4-triazin-5-one
CID 136779789
6-chloro-2-pyrrolidin-1-yl-3H-quinazolin-4-one
CID 135932587
4-methyl-5-(2-methylprop-2-enyl)-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
CID 135473139

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one (CID 135846108) is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(N2CCCCC2)[nH]c1=O.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is CFNQXHVFUPETIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-11-15(10-12-13(18)6-5-7-14(12)19)20-17(21-16(11)23)22-8-3-2-4-9-22/h5-7H,2-4,8-10H2,1H3,(H,20,21,23).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 319.36 g/mol, XLogP of 2.94, 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]-5-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135846108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).