4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one

C21H22N6O2 — CID 137047138

IUPAC4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C21H22N6O2/c1-14-17(21(29)26-20(25-14)15-4-7-22-8-5-15)11-19(28)27-10-9-24-13-18(27)16-3-2-6-23-12-16/h2-8,12,18,24H,9-11,13H2,1H3,(H,25,26,29)
InChIKeyXEWNHKPLVLIZMD-UHFFFAOYSA-N
MW390.45 g/mol
LogP1.25
Rot. Bonds4

About 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one

4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 137047138) has the molecular formula C21H22N6O2 and a molecular weight of 390.45 g/mol. Its IUPAC name is 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID137047138
Molecular FormulaC21H22N6O2
Molecular Weight390.45 g/mol
Exact Mass390.18
IUPAC Name4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESCc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCNCC1c1cccnc1
InChIInChI=1S/C21H22N6O2/c1-14-17(21(29)26-20(25-14)15-4-7-22-8-5-15)11-19(28)27-10-9-24-13-18(27)16-3-2-6-23-12-16/h2-8,12,18,24H,9-11,13H2,1H3,(H,25,26,29)
InChIKeyXEWNHKPLVLIZMD-UHFFFAOYSA-N
XLogP1.25
TPSA103.87 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120732156
2-(4-methoxyphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120731250
1-(2-pyridin-3-ylpiperazin-1-yl)-2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethanone
CID 120728863
1-[2-(4-methyl-6-oxo-2-pyridin-4-yl-1H-pyrimidin-5-yl)acetyl]pyrrolidine-2-carboxylic acid
CID 137010231
2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone
CID 120730344
5-[2-[2-(aminomethyl)-4-methylpiperidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137091980
3-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)butan-1-one;hydrochloride
CID 120731237
2-(4-butylphenyl)-1-(2-pyridin-3-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120730121
4-methyl-1-(2-pyridin-3-ylpiperazin-1-yl)pentan-1-one
CID 120729213
5-[2-[(3S,4R)-3-amino-4-phenylpyrrolidin-1-yl]-2-oxoethyl]-4-methyl-2-pyridin-4-yl-1H-pyrimidin-6-one
CID 137079245
N-methyl-N-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]acetamide
CID 120729613
N,N-diethyl-2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethanesulfonamide;hydrochloride
CID 120731433

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 137047138) is 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one is Cc1nc(-c2ccncc2)[nH]c(=O)c1CC(=O)N1CCNCC1c1cccnc1.
What is the InChIKey of 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is XEWNHKPLVLIZMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2/c1-14-17(21(29)26-20(25-14)15-4-7-22-8-5-15)11-19(28)27-10-9-24-13-18(27)16-3-2-6-23-12-16/h2-8,12,18,24H,9-11,13H2,1H3,(H,25,26,29).
What are the key properties of 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one?
4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 390.45 g/mol, XLogP of 1.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[2-oxo-2-(2-pyridin-3-ylpiperazin-1-yl)ethyl]-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137047138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).