7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate

C25H26F4N6O4 — CID 158918184

IUPAC7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate
SMILESCCc1nc2c(F)cc(N)cn2c(=O)c1F.CCc1nc2c(F)cc(NC(=O)OC(C)(C)C)cn2c(=O)c1F
InChIInChI=1S/C15H17F2N3O3.C10H9F2N3O/c1-5-10-11(17)13(21)20-7-8(6-9(16)12(20)19-10)18-14(22)23-15(2,3)4;1-2-7-8(12)10(16)15-4-5(13)3-6(11)9(15)14-7/h6-7H,5H2,1-4H3,(H,18,22);3-4H,2,13H2,1H3
InChIKeyJHMPDQXTDIEADR-UHFFFAOYSA-N
MW550.51 g/mol
LogP4.00
Rot. Bonds3

About 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate

7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate (PubChem CID 158918184) has the molecular formula C25H26F4N6O4 and a molecular weight of 550.51 g/mol. Its IUPAC name is 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate.

Molecular Properties

Compound Name7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate
PubChem CID158918184
Molecular FormulaC25H26F4N6O4
Molecular Weight550.51 g/mol
Exact Mass550.20
IUPAC Name7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate
SMILESCCc1nc2c(F)cc(N)cn2c(=O)c1F.CCc1nc2c(F)cc(NC(=O)OC(C)(C)C)cn2c(=O)c1F
InChIInChI=1S/C15H17F2N3O3.C10H9F2N3O/c1-5-10-11(17)13(21)20-7-8(6-9(16)12(20)19-10)18-14(22)23-15(2,3)4;1-2-7-8(12)10(16)15-4-5(13)3-6(11)9(15)14-7/h6-7H,5H2,1-4H3,(H,18,22);3-4H,2,13H2,1H3
InChIKeyJHMPDQXTDIEADR-UHFFFAOYSA-N
XLogP4.00
TPSA133.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.51
LogP ≤ 54.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate with MolForge

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Related Compounds

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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;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate?
The IUPAC name of 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate (CID 158918184) is 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate.
What is the SMILES notation for 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate?
The canonical SMILES for 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate is CCc1nc2c(F)cc(N)cn2c(=O)c1F.CCc1nc2c(F)cc(NC(=O)OC(C)(C)C)cn2c(=O)c1F.
What is the InChIKey of 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate?
The InChIKey is JHMPDQXTDIEADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O3.C10H9F2N3O/c1-5-10-11(17)13(21)20-7-8(6-9(16)12(20)19-10)18-14(22)23-15(2,3)4;1-2-7-8(12)10(16)15-4-5(13)3-6(11)9(15)14-7/h6-7H,5H2,1-4H3,(H,18,22);3-4H,2,13H2,1H3.
What are the key properties of 7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate?
7-amino-2-ethyl-3,9-difluoropyrido[1,2-a]pyrimidin-4-one;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate has a molecular weight of 550.51 g/mol, XLogP of 4.00, 3 rotatable bonds, 2 hydrogen bond donors, and 9 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;tert-butyl N-(2-ethyl-3,9-difluoro-4-oxopyrido[1,2-a]pyrimidin-7-yl)carbamate is sourced from PubChem (CID 158918184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).