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

C19H28N4O2 — CID 71878633

IUPAC2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CC(C)O
InChIInChI=1S/C19H28N4O2/c1-4-17-13-21(8-9-22(17)11-15(3)24)12-16-10-18(25)23-7-5-6-14(2)19(23)20-16/h5-7,10,15,17,24H,4,8-9,11-13H2,1-3H3
InChIKeyOJWJREXTYAITAR-UHFFFAOYSA-N
MW344.46 g/mol
LogP1.28
Rot. Bonds5

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

2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 71878633) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID71878633
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Name2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCCC1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CC(C)O
InChIInChI=1S/C19H28N4O2/c1-4-17-13-21(8-9-22(17)11-15(3)24)12-16-10-18(25)23-7-5-6-14(2)19(23)20-16/h5-7,10,15,17,24H,4,8-9,11-13H2,1-3H3
InChIKeyOJWJREXTYAITAR-UHFFFAOYSA-N
XLogP1.28
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[(3S)-3-ethyl-4-(2-methoxyethyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 95345452
2-[[3-(1-hydroxyethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 115966901
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708
2-[[3-(aminomethyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 62062893
2-[(3,5-dimethylpiperazin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119924132
(2R)-1-[(2R)-2-ethyl-4-[(5-methylpyrazin-2-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95766588
N-[4-[[(3R)-3-ethyl-4-[(2R)-2-hydroxypropyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 95978180
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
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
1-[4-[(5,7-dimethylimidazo[1,2-a]pyrimidin-2-yl)methyl]-2-ethylpiperazin-1-yl]propan-2-ol
CID 154747941

Frequently Asked Questions

What is the IUPAC name of 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one (CID 71878633) is 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is CCC1CN(Cc2cc(=O)n3cccc(C)c3n2)CCN1CC(C)O.
What is the InChIKey of 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is OJWJREXTYAITAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-4-17-13-21(8-9-22(17)11-15(3)24)12-16-10-18(25)23-7-5-6-14(2)19(23)20-16/h5-7,10,15,17,24H,4,8-9,11-13H2,1-3H3.
What are the key properties of 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one?
2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 344.46 g/mol, XLogP of 1.28, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-ethyl-4-(2-hydroxypropyl)piperazin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 71878633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).