3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione

C12H13FN2O2 — CID 166088775

IUPAC3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione
SMILESCCc1cc(=O)n2cc(CC)c(=O)[nH]c2c1F
InChIInChI=1S/C12H13FN2O2/c1-3-7-5-9(16)15-6-8(4-2)12(17)14-11(15)10(7)13/h5-6H,3-4H2,1-2H3,(H,14,17)
InChIKeySBDONLKKSBLTCA-UHFFFAOYSA-N
MW236.25 g/mol
LogP1.25
Rot. Bonds2

About 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione

3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione (PubChem CID 166088775) has the molecular formula C12H13FN2O2 and a molecular weight of 236.25 g/mol. Its IUPAC name is 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione.

Molecular Properties

Compound Name3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione
PubChem CID166088775
Molecular FormulaC12H13FN2O2
Molecular Weight236.25 g/mol
Exact Mass236.10
IUPAC Name3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione
SMILESCCc1cc(=O)n2cc(CC)c(=O)[nH]c2c1F
InChIInChI=1S/C12H13FN2O2/c1-3-7-5-9(16)15-6-8(4-2)12(17)14-11(15)10(7)13/h5-6H,3-4H2,1-2H3,(H,14,17)
InChIKeySBDONLKKSBLTCA-UHFFFAOYSA-N
XLogP1.25
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(difluoromethyl)-5-ethylpyrimidine-2,4-dione
CID 66329938
3-ethyl-5-fluoro-6-iodo-1H-pyridin-2-one
CID 170115895
5-ethyl-1-[(4-fluorophenyl)methyl]pyrimidine-2,4-dione
CID 66330527
1-(2-ethoxyethyl)-5-ethylpyrimidine-2,4-dione
CID 66330926
1-[(5-bromo-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329734
1-[(2-chloro-5-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 102620271
1-[(4-amino-2-fluorophenyl)methyl]-5-ethylpyrimidine-2,4-dione
CID 66329706
1-(2-aminoethyl)-5-ethylpyrimidine-2,4-dione
CID 66330500
1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
CID 10262317
7-(bromomethyl)-3-ethyl-8-fluoro-1H-quinolin-2-one
CID 168984402
5-ethyl-1-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrimidine-2,4-dione
CID 66330134
5-ethyl-1-[(4-ethylphenyl)methyl]pyrimidine-2,4-dione
CID 66330934

Frequently Asked Questions

What is the IUPAC name of 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione?
The IUPAC name of 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione (CID 166088775) is 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione.
What is the SMILES notation for 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione?
The canonical SMILES for 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione is CCc1cc(=O)n2cc(CC)c(=O)[nH]c2c1F.
What is the InChIKey of 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione?
The InChIKey is SBDONLKKSBLTCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O2/c1-3-7-5-9(16)15-6-8(4-2)12(17)14-11(15)10(7)13/h5-6H,3-4H2,1-2H3,(H,14,17).
What are the key properties of 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione?
3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione has a molecular weight of 236.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,8-diethyl-9-fluoro-1H-pyrido[1,2-a]pyrimidine-2,6-dione is sourced from PubChem (CID 166088775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).