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

C17H19F2N3O2 — CID 135771932

IUPAC4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O2/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)
InChIKeyCQFHTAOWHQBLSP-UHFFFAOYSA-N
MW335.35 g/mol
LogP2.34
Rot. Bonds3

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

4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (PubChem CID 135771932) has the molecular formula C17H19F2N3O2 and a molecular weight of 335.35 g/mol. Its IUPAC name is 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
PubChem CID135771932
Molecular FormulaC17H19F2N3O2
Molecular Weight335.35 g/mol
Exact Mass335.14
IUPAC Name4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one
SMILESCc1c(C(C)c2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O
InChIInChI=1S/C17H19F2N3O2/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23)
InChIKeyCQFHTAOWHQBLSP-UHFFFAOYSA-N
XLogP2.34
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one (CID 135771932) is 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is Cc1c(C(C)c2c(F)cccc2F)nc(N2CCOCC2)[nH]c1=O.
What is the InChIKey of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
The InChIKey is CQFHTAOWHQBLSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O2/c1-10(14-12(18)4-3-5-13(14)19)15-11(2)16(23)21-17(20-15)22-6-8-24-9-7-22/h3-5,10H,6-9H2,1-2H3,(H,20,21,23).
What are the key properties of 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one?
4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one has a molecular weight of 335.35 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(2,6-difluorophenyl)ethyl]-5-methyl-2-morpholin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135771932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).