2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

C19H28N4O2 — CID 95345452

IUPAC2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC[C@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CCOC
InChIInChI=1S/C19H28N4O2/c1-4-17-14-21(8-9-22(17)10-11-25-3)13-16-12-18(24)23-7-5-6-15(2)19(23)20-16/h5-7,12,17H,4,8-11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyNAAHYNNFWFFLLD-KRWDZBQOSA-N
MW344.46 g/mol
LogP1.55
Rot. Bonds6

About 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one

2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 95345452) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID95345452
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC[C@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CCOC
InChIInChI=1S/C19H28N4O2/c1-4-17-14-21(8-9-22(17)10-11-25-3)13-16-12-18(24)23-7-5-6-15(2)19(23)20-16/h5-7,12,17H,4,8-11,13-14H2,1-3H3/t17-/m0/s1
InChIKeyNAAHYNNFWFFLLD-KRWDZBQOSA-N
XLogP1.55
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 71878633
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
3-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5-methyl-1,2-oxazole
CID 95602502
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 95328273
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380
2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 75463124
N,N-diethyl-4-[(9-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperazine-1-sulfonamide
CID 43039536
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
2-[[4-(2,6-dimethylmorpholin-4-yl)sulfonylpiperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 55626202

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 95345452) is 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is CC[C@H]1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CCOC.
What is the InChIKey of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NAAHYNNFWFFLLD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-17-14-21(8-9-22(17)10-11-25-3)13-16-12-18(24)23-7-5-6-15(2)19(23)20-16/h5-7,12,17H,4,8-11,13-14H2,1-3H3/t17-/m0/s1.
What are the key properties of 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 344.46 g/mol, XLogP of 1.55, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95345452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).