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

C18H21F2N3O — CID 135846085

IUPAC4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCCCC2C)[nH]c1=O
InChIInChI=1S/C18H21F2N3O/c1-11-6-3-4-9-23(11)18-21-16(12(2)17(24)22-18)10-13-14(19)7-5-8-15(13)20/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,21,22,24)
InChIKeyQLZGQRXDFWNKRF-UHFFFAOYSA-N
MW333.38 g/mol
LogP3.33
Rot. Bonds3

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

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 135846085) has the molecular formula C18H21F2N3O and a molecular weight of 333.38 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID135846085
Molecular FormulaC18H21F2N3O
Molecular Weight333.38 g/mol
Exact Mass333.17
IUPAC Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCCCC2C)[nH]c1=O
InChIInChI=1S/C18H21F2N3O/c1-11-6-3-4-9-23(11)18-21-16(12(2)17(24)22-18)10-13-14(19)7-5-8-15(13)20/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,21,22,24)
InChIKeyQLZGQRXDFWNKRF-UHFFFAOYSA-N
XLogP3.33
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.38
LogP ≤ 53.33
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-[(2,6-difluorophenyl)methyl]-2-(dimethylamino)-1H-pyrimidin-6-one
CID 135434830
3-methyl-2-[[(3R,5R)-1-methyl-5-phenyl-piperidin-3-yl]amino]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-one
CID 156619932
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-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one (CID 135846085) is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(N2CCCCC2C)[nH]c1=O.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is QLZGQRXDFWNKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21F2N3O/c1-11-6-3-4-9-23(11)18-21-16(12(2)17(24)22-18)10-13-14(19)7-5-8-15(13)20/h5,7-8,11H,3-4,6,9-10H2,1-2H3,(H,21,22,24).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 333.38 g/mol, XLogP of 3.33, 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-(2-methylpiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135846085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).