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

C16H17F2N3O — CID 135846083

IUPAC4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C16H17F2N3O/c1-10-14(9-11-12(17)5-4-6-13(11)18)19-16(20-15(10)22)21-7-2-3-8-21/h4-6H,2-3,7-9H2,1H3,(H,19,20,22)
InChIKeyIFEPBHFKJIXJRP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.55
Rot. Bonds3

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

4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (PubChem CID 135846083) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
PubChem CID135846083
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC Name4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one
SMILESCc1c(Cc2c(F)cccc2F)nc(N2CCCC2)[nH]c1=O
InChIInChI=1S/C16H17F2N3O/c1-10-14(9-11-12(17)5-4-6-13(11)18)19-16(20-15(10)22)21-7-2-3-8-21/h4-6H,2-3,7-9H2,1H3,(H,19,20,22)
InChIKeyIFEPBHFKJIXJRP-UHFFFAOYSA-N
XLogP2.55
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 ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one (CID 135846083) is 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one is Cc1c(Cc2c(F)cccc2F)nc(N2CCCC2)[nH]c1=O.
What is the InChIKey of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
The InChIKey is IFEPBHFKJIXJRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-10-14(9-11-12(17)5-4-6-13(11)18)19-16(20-15(10)22)21-7-2-3-8-21/h4-6H,2-3,7-9H2,1H3,(H,19,20,22).
What are the key properties of 4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one?
4-[(2,6-difluorophenyl)methyl]-5-methyl-2-pyrrolidin-1-yl-1H-pyrimidin-6-one has a molecular weight of 305.33 g/mol, XLogP of 2.55, 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-pyrrolidin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135846083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).