ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C17H25N4O2+ — CID 8906534

IUPACethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NC(C)C)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-8-17(23)21-9-13(4)6-7-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)/p+1
InChIKeyFJCUOAHYHMPUPZ-UHFFFAOYSA-O
MW317.41 g/mol
LogP-0.07
Rot. Bonds6

About ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8906534) has the molecular formula C17H25N4O2+ and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8906534
Molecular FormulaC17H25N4O2+
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Nameethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCC[NH+](CC(=O)NC(C)C)Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-8-17(23)21-9-13(4)6-7-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)/p+1
InChIKeyFJCUOAHYHMPUPZ-UHFFFAOYSA-O
XLogP-0.07
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 5-0.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8906534) is ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.
What is the SMILES notation for ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is CC[NH+](CC(=O)NC(C)C)Cc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is FJCUOAHYHMPUPZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-8-17(23)21-9-13(4)6-7-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)/p+1.
What are the key properties of ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 317.41 g/mol, XLogP of -0.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8906534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).