ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

C17H25N4O2+ — CID 8557107

IUPACethyl-[(6-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)n2c(C)cccc2n1
InChIInChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-9-17(23)21-13(4)7-6-8-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)/p+1
InChIKeySTEJGOUXHZTLDN-UHFFFAOYSA-O
MW317.41 g/mol
LogP-0.07
Rot. Bonds6

About ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium

ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 8557107) has the molecular formula C17H25N4O2+ and a molecular weight of 317.41 g/mol. Its IUPAC name is ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Nameethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID8557107
Molecular FormulaC17H25N4O2+
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Nameethyl-[(6-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)n2c(C)cccc2n1
InChIInChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-9-17(23)21-13(4)7-6-8-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)/p+1
InChIKeySTEJGOUXHZTLDN-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

Analyze ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium with MolForge

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Related Compounds

2-(piperazin-1-ylmethyl)-4H-pyrido[1,2-a]pyrimidin-4-one
CID 43090470
N-[2-[(4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71449589
N-[2-[(8-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl)carbamoylamino]ethyl]acetamide
CID 71462106
3-amino-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 1359737
Cambridge id 5974420
CID 2879264
N-{2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}pentanamide
CID 7217027
N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)isobutyramide
CID 18566117
3-(3-cyclohexylureido)-2-methyl-1,4a-diaza-4H-naphthalen-4-one
CID 44010053
2,2,2-trifluoro-N-(2-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)acetamide
CID 18566116
N~2~,N~2~-diethyl-N~1~-[(6-hydroxy-2-methylpyrimidin-4-yl)methyl]glycinamide
CID 136663687
2-[4-[(4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 42949473
2-[(4,4,4-Trifluorobutan-2-ylamino)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 105935294

Frequently Asked Questions

What is the IUPAC name of ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 8557107) is ethyl-[(6-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-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for ethyl-[(6-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)n2c(C)cccc2n1.
What is the InChIKey of ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is STEJGOUXHZTLDN-UHFFFAOYSA-O. The full InChI is InChI=1S/C17H24N4O2/c1-5-20(11-16(22)18-12(2)3)10-14-9-17(23)21-13(4)7-6-8-15(21)19-14/h6-9,12H,5,10-11H2,1-4H3,(H,18,22)/p+1.
What are the key properties of ethyl-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
ethyl-[(6-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-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 8557107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).