2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

C21H24N4O2 — CID 120753391

IUPAC2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1C1CNCCN1Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C21H24N4O2/c1-15-7-8-20-23-16(11-21(26)25(20)13-15)14-24-10-9-22-12-18(24)17-5-3-4-6-19(17)27-2/h3-8,11,13,18,22H,9-10,12,14H2,1-2H3
InChIKeyRSAYKSAWVKCYJI-UHFFFAOYSA-N
MW364.45 g/mol
LogP2.16
Rot. Bonds4

About 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one

2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 120753391) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID120753391
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCOc1ccccc1C1CNCCN1Cc1cc(=O)n2cc(C)ccc2n1
InChIInChI=1S/C21H24N4O2/c1-15-7-8-20-23-16(11-21(26)25(20)13-15)14-24-10-9-22-12-18(24)17-5-3-4-6-19(17)27-2/h3-8,11,13,18,22H,9-10,12,14H2,1-2H3
InChIKeyRSAYKSAWVKCYJI-UHFFFAOYSA-N
XLogP2.16
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-6-methylimidazo[1,2-a]pyridine
CID 120753675
2-(2-methoxyphenyl)-1-[(5-methyl-2-pyridinyl)methyl]piperazine
CID 120767478
2-(2-methoxyphenyl)-1-[(6-methyl-2-pyridinyl)methyl]piperazine
CID 110109239
2-[[2-(2-chlorophenyl)pyrrolidin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 47057204
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-N,N-dimethylpyrimidin-2-amine
CID 120767508
6-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 120753884
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]imidazo[1,2-a]pyrimidine
CID 120967209
7-methyl-2-(pyrrolidin-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 115054645
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-propyl-1,3-thiazole;dihydrochloride
CID 120753805
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3-thiazole;hydrochloride
CID 120767619
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-methylquinoline;dihydrochloride
CID 120753959
4-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-2-thiophen-3-yl-1,3-thiazole
CID 120753181

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one (CID 120753391) is 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is COc1ccccc1C1CNCCN1Cc1cc(=O)n2cc(C)ccc2n1.
What is the InChIKey of 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RSAYKSAWVKCYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-15-7-8-20-23-16(11-21(26)25(20)13-15)14-24-10-9-22-12-18(24)17-5-3-4-6-19(17)27-2/h3-8,11,13,18,22H,9-10,12,14H2,1-2H3.
What are the key properties of 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 364.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 120753391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).