2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C20H27N5O2 — CID 91836626

IUPAC2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN(Cc1cc(=O)n2cccc(C)c2n1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H27N5O2/c1-14-7-6-8-25-19(26)11-17(21-20(14)25)12-24(9-10-27-5)13-18-15(2)22-23(4)16(18)3/h6-8,11H,9-10,12-13H2,1-5H3
InChIKeyYXFFQFQHQXCIBL-UHFFFAOYSA-N
MW369.47 g/mol
LogP2.00
Rot. Bonds7

About 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 91836626) has the molecular formula C20H27N5O2 and a molecular weight of 369.47 g/mol. Its IUPAC name is 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID91836626
Molecular FormulaC20H27N5O2
Molecular Weight369.47 g/mol
Exact Mass369.22
IUPAC Name2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOCCN(Cc1cc(=O)n2cccc(C)c2n1)Cc1c(C)nn(C)c1C
InChIInChI=1S/C20H27N5O2/c1-14-7-6-8-25-19(26)11-17(21-20(14)25)12-24(9-10-27-5)13-18-15(2)22-23(4)16(18)3/h6-8,11H,9-10,12-13H2,1-5H3
InChIKeyYXFFQFQHQXCIBL-UHFFFAOYSA-N
XLogP2.00
TPSA64.66 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 91836626) is 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is COCCN(Cc1cc(=O)n2cccc(C)c2n1)Cc1c(C)nn(C)c1C.
What is the InChIKey of 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is YXFFQFQHQXCIBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2/c1-14-7-6-8-25-19(26)11-17(21-20(14)25)12-24(9-10-27-5)13-18-15(2)22-23(4)16(18)3/h6-8,11H,9-10,12-13H2,1-5H3.
What are the key properties of 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-methoxyethyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]amino]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 91836626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).