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

C17H21N5O2 — CID 136663273

IUPAC2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(CC(=O)N2CCN(c3ccccn3)CC2)c(C)c(=O)[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-14(19-13(2)20-17(12)24)11-16(23)22-9-7-21(8-10-22)15-5-3-4-6-18-15/h3-6H,7-11H2,1-2H3,(H,19,20,24)
InChIKeyGOGHWTJPSFUULQ-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.67
Rot. Bonds3

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

2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one (PubChem CID 136663273) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
PubChem CID136663273
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one
SMILESCc1nc(CC(=O)N2CCN(c3ccccn3)CC2)c(C)c(=O)[nH]1
InChIInChI=1S/C17H21N5O2/c1-12-14(19-13(2)20-17(12)24)11-16(23)22-9-7-21(8-10-22)15-5-3-4-6-18-15/h3-6H,7-11H2,1-2H3,(H,19,20,24)
InChIKeyGOGHWTJPSFUULQ-UHFFFAOYSA-N
XLogP0.67
TPSA82.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-(3-methylquinolin-2-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854935
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CID 110696951
1-(4-pyridin-2-ylpiperazin-1-yl)propan-1-one
CID 18714915
2-(2,4-dimethyl-1,3-oxazol-5-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110680076
2-(2-methoxy-4,5-dimethylphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110767938
5-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3-dihydrobenzimidazol-2-one
CID 110772125
2-(2-methoxyphenyl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 762691
3,3-dimethyl-1-(4-pyridin-2-ylpiperazin-1-yl)butan-1-one
CID 17217465
1,2-bis(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 2813993
2-(methylamino)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone;hydrochloride
CID 120703285
2-nitro-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 108814544
2-(7-methyl-1H-indol-3-yl)-1-(4-pyridin-2-ylpiperazin-1-yl)ethanone
CID 110854852

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one (CID 136663273) is 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one is Cc1nc(CC(=O)N2CCN(c3ccccn3)CC2)c(C)c(=O)[nH]1.
What is the InChIKey of 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one?
The InChIKey is GOGHWTJPSFUULQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-12-14(19-13(2)20-17(12)24)11-16(23)22-9-7-21(8-10-22)15-5-3-4-6-18-15/h3-6H,7-11H2,1-2H3,(H,19,20,24).
What are the key properties of 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one?
2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one has a molecular weight of 327.39 g/mol, XLogP of 0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-4-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136663273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).