2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one

C10H12N4O2 — CID 162648627

IUPAC2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)n(-c2nc(C)cc(=O)[nH]2)[nH]1
InChIInChI=1S/C10H12N4O2/c1-3-7-5-9(16)14(13-7)10-11-6(2)4-8(15)12-10/h4-5,13H,3H2,1-2H3,(H,11,12,15)
InChIKeyWYLYMIKGBCBJOB-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.12
Rot. Bonds2

About 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one

2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one (PubChem CID 162648627) has the molecular formula C10H12N4O2 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one
PubChem CID162648627
Molecular FormulaC10H12N4O2
Molecular Weight220.23 g/mol
Exact Mass220.10
IUPAC Name2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one
SMILESCCc1cc(=O)n(-c2nc(C)cc(=O)[nH]2)[nH]1
InChIInChI=1S/C10H12N4O2/c1-3-7-5-9(16)14(13-7)10-11-6(2)4-8(15)12-10/h4-5,13H,3H2,1-2H3,(H,11,12,15)
InChIKeyWYLYMIKGBCBJOB-UHFFFAOYSA-N
XLogP0.12
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-5-propyl-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 666943
2-Amino-5-isopropyl[1,2,4]triazolo[1,5-a]pyrimidin-7(3H)-one
CID 591751
6-methyl-2-(3-methyl-5-oxo-2,5-dihydro-1H-pyrazol-1-yl)-4(3H)-pyrimidinone
CID 135464837
6-Ethyl-2-hydrazinyl-4(3H)-pyrimidinone
CID 135876279
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)propanamide
CID 930424
2-amino-5-tert-butyl[1,2,4]triazolo[1,5-a]pyrimidin-7(4H)-one
CID 673166
2-Hydrazinyl-6-propyl-3,4-dihydropyrimidin-4-one
CID 135762281
2-amino-5-propyl-3H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 3670101
2-methyl-5-(propan-2-yl)-4H,7H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 16448740
N-(7-hydroxy-5-methyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)butanamide
CID 930740
N'-(4-hydroxy-6-methylpyrimidin-2-yl)acetohydrazide
CID 135431274
(1,2,4)Triazolo(1,5-a)pyrimidin-7(1H)-one, 2-amino-5-ethyl-
CID 50987841

Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one (CID 162648627) is 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one is CCc1cc(=O)n(-c2nc(C)cc(=O)[nH]2)[nH]1.
What is the InChIKey of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is WYLYMIKGBCBJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2/c1-3-7-5-9(16)14(13-7)10-11-6(2)4-8(15)12-10/h4-5,13H,3H2,1-2H3,(H,11,12,15).
What are the key properties of 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one?
2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 220.23 g/mol, XLogP of 0.12, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-3-oxo-1H-pyrazol-2-yl)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 162648627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).