2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H19N3O2 — CID 55104803

IUPAC2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCC(C)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-11(10-19-2)8-15-9-12-7-14(18)17-6-4-3-5-13(17)16-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyTVADOUAPVJAUHZ-UHFFFAOYSA-N
MW261.32 g/mol
LogP1.07
Rot. Bonds6

About 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 55104803) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID55104803
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCOCC(C)CNCc1cc(=O)n2ccccc2n1
InChIInChI=1S/C14H19N3O2/c1-11(10-19-2)8-15-9-12-7-14(18)17-6-4-3-5-13(17)16-12/h3-7,11,15H,8-10H2,1-2H3
InChIKeyTVADOUAPVJAUHZ-UHFFFAOYSA-N
XLogP1.07
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 55104803) is 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is COCC(C)CNCc1cc(=O)n2ccccc2n1.
What is the InChIKey of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is TVADOUAPVJAUHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-11(10-19-2)8-15-9-12-7-14(18)17-6-4-3-5-13(17)16-12/h3-7,11,15H,8-10H2,1-2H3.
What are the key properties of 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 261.32 g/mol, XLogP of 1.07, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3-methoxy-2-methylpropyl)amino]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 55104803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).