[2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

C15H21N4O2+ — CID 8712296

IUPAC[2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1ccc2nc(C[NH+](C)CC(=O)N(C)C)cc(=O)n2c1
InChIInChI=1S/C15H20N4O2/c1-11-5-6-13-16-12(7-14(20)19(13)8-11)9-18(4)10-15(21)17(2)3/h5-8H,9-10H2,1-4H3/p+1
InChIKeyQVDDQFHODOPQRK-UHFFFAOYSA-O
MW289.36 g/mol
LogP-0.89
Rot. Bonds4

About [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium

[2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (PubChem CID 8712296) has the molecular formula C15H21N4O2+ and a molecular weight of 289.36 g/mol. Its IUPAC name is [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.

Molecular Properties

Compound Name[2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
PubChem CID8712296
Molecular FormulaC15H21N4O2+
Molecular Weight289.36 g/mol
Exact Mass289.17
IUPAC Name[2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium
SMILESCc1ccc2nc(C[NH+](C)CC(=O)N(C)C)cc(=O)n2c1
InChIInChI=1S/C15H20N4O2/c1-11-5-6-13-16-12(7-14(20)19(13)8-11)9-18(4)10-15(21)17(2)3/h5-8H,9-10H2,1-4H3/p+1
InChIKeyQVDDQFHODOPQRK-UHFFFAOYSA-O
XLogP-0.89
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 5-0.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The IUPAC name of [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium (CID 8712296) is [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium.
What is the SMILES notation for [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The canonical SMILES for [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is Cc1ccc2nc(C[NH+](C)CC(=O)N(C)C)cc(=O)n2c1.
What is the InChIKey of [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
The InChIKey is QVDDQFHODOPQRK-UHFFFAOYSA-O. The full InChI is InChI=1S/C15H20N4O2/c1-11-5-6-13-16-12(7-14(20)19(13)8-11)9-18(4)10-15(21)17(2)3/h5-8H,9-10H2,1-4H3/p+1.
What are the key properties of [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium?
[2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium has a molecular weight of 289.36 g/mol, XLogP of -0.89, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(dimethylamino)-2-oxoethyl]-methyl-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]azanium is sourced from PubChem (CID 8712296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).