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

C16H23N4O2+ — CID 9049546

IUPACmethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc2nc(C[NH+](C)CC(=O)NC(C)C)cc(=O)n2c1
InChIInChI=1S/C16H22N4O2/c1-11(2)17-15(21)10-19(4)9-13-7-16(22)20-8-12(3)5-6-14(20)18-13/h5-8,11H,9-10H2,1-4H3,(H,17,21)/p+1
InChIKeyAHJNMZFFMJKGPT-UHFFFAOYSA-O
MW303.39 g/mol
LogP-0.46
Rot. Bonds5

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

methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (PubChem CID 9049546) has the molecular formula C16H23N4O2+ and a molecular weight of 303.39 g/mol. Its IUPAC name is methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium.

Molecular Properties

Compound Namemethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
PubChem CID9049546
Molecular FormulaC16H23N4O2+
Molecular Weight303.39 g/mol
Exact Mass303.18
IUPAC Namemethyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
SMILESCc1ccc2nc(C[NH+](C)CC(=O)NC(C)C)cc(=O)n2c1
InChIInChI=1S/C16H22N4O2/c1-11(2)17-15(21)10-19(4)9-13-7-16(22)20-8-12(3)5-6-14(20)18-13/h5-8,11H,9-10H2,1-4H3,(H,17,21)/p+1
InChIKeyAHJNMZFFMJKGPT-UHFFFAOYSA-O
XLogP-0.46
TPSA67.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 5-0.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The IUPAC name of methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium (CID 9049546) is methyl-[(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 methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The canonical SMILES for methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is Cc1ccc2nc(C[NH+](C)CC(=O)NC(C)C)cc(=O)n2c1.
What is the InChIKey of methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
The InChIKey is AHJNMZFFMJKGPT-UHFFFAOYSA-O. The full InChI is InChI=1S/C16H22N4O2/c1-11(2)17-15(21)10-19(4)9-13-7-16(22)20-8-12(3)5-6-14(20)18-13/h5-8,11H,9-10H2,1-4H3,(H,17,21)/p+1.
What are the key properties of methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium?
methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium has a molecular weight of 303.39 g/mol, XLogP of -0.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-[2-oxo-2-(propan-2-ylamino)ethyl]azanium is sourced from PubChem (CID 9049546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).