7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one

C10H9F2N3O — CID 138958353

IUPAC7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(N)cn2c(=O)c1F
InChIInChI=1S/C10H9F2N3O/c1-2-7-8(12)10(16)15-4-5(13)3-6(11)9(15)14-7/h3-4H,2,13H2,1H3
InChIKeyPTUMHEGDYGUHDM-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.12
Rot. Bonds1

About 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one

7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one (PubChem CID 138958353) has the molecular formula C10H9F2N3O and a molecular weight of 225.20 g/mol. Its IUPAC name is 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one
PubChem CID138958353
Molecular FormulaC10H9F2N3O
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one
SMILESCCc1nc2c(F)cc(N)cn2c(=O)c1F
InChIInChI=1S/C10H9F2N3O/c1-2-7-8(12)10(16)15-4-5(13)3-6(11)9(15)14-7/h3-4H,2,13H2,1H3
InChIKeyPTUMHEGDYGUHDM-UHFFFAOYSA-N
XLogP1.12
TPSA60.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one (CID 138958353) is 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one is CCc1nc2c(F)cc(N)cn2c(=O)c1F.
What is the InChIKey of 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PTUMHEGDYGUHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F2N3O/c1-2-7-8(12)10(16)15-4-5(13)3-6(11)9(15)14-7/h3-4H,2,13H2,1H3.
What are the key properties of 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one?
7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one has a molecular weight of 225.20 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 138958353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).