N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide

C17H22N6O4 — CID 135954086

IUPACN'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H22N6O4/c1-3-11-8-14(24)21-17(19-11)23-13(7-10(2)22-23)20-16(26)15(25)18-9-12-5-4-6-27-12/h7-8,12H,3-6,9H2,1-2H3,(H,18,25)(H,20,26)(H,19,21,24)
InChIKeyKCUCHEQFJGVNQE-UHFFFAOYSA-N
MW374.40 g/mol
LogP0.06
Rot. Bonds5

About N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide

N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide (PubChem CID 135954086) has the molecular formula C17H22N6O4 and a molecular weight of 374.40 g/mol. Its IUPAC name is N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide.

Molecular Properties

Compound NameN'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
PubChem CID135954086
Molecular FormulaC17H22N6O4
Molecular Weight374.40 g/mol
Exact Mass374.17
IUPAC NameN'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCC2CCCO2)n1
InChIInChI=1S/C17H22N6O4/c1-3-11-8-14(24)21-17(19-11)23-13(7-10(2)22-23)20-16(26)15(25)18-9-12-5-4-6-27-12/h7-8,12H,3-6,9H2,1-2H3,(H,18,25)(H,20,26)(H,19,21,24)
InChIKeyKCUCHEQFJGVNQE-UHFFFAOYSA-N
XLogP0.06
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 135954051
N'-[5-methyl-2-(4-oxo-4a,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide
CID 73339991
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[(1R,5S)-3,3,5-trimethylcyclohexyl]oxamide
CID 136902200
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[(1S,5S)-3,3,5-trimethylcyclohexyl]oxamide
CID 136902201
4-chloro-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]butanamide
CID 135753051
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-4-(hydroxymethyl)benzamide
CID 156672559
N-ethyl-N'-[5-methyl-2-(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)pyrazol-3-yl]oxamide
CID 136641398
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3,4-dimethoxybenzamide
CID 135731872
2-cyclohexyl-N-[5-methyl-2-(6-oxo-4-propyl-1H-pyrimidin-2-yl)pyrazol-3-yl]acetamide
CID 135753190
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(6-methyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)acetamide
CID 136636838
3-(dimethylamino)-N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 136636843
N-(1,3-benzodioxol-5-ylmethyl)-N'-[5-methyl-2-(4-methyl-6-oxo-1H-pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 135954060

Frequently Asked Questions

What is the IUPAC name of N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide?
The IUPAC name of N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide (CID 135954086) is N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide.
What is the SMILES notation for N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide?
The canonical SMILES for N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)C(=O)NCC2CCCO2)n1.
What is the InChIKey of N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide?
The InChIKey is KCUCHEQFJGVNQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O4/c1-3-11-8-14(24)21-17(19-11)23-13(7-10(2)22-23)20-16(26)15(25)18-9-12-5-4-6-27-12/h7-8,12H,3-6,9H2,1-2H3,(H,18,25)(H,20,26)(H,19,21,24).
What are the key properties of N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide?
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide has a molecular weight of 374.40 g/mol, XLogP of 0.06, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(oxolan-2-ylmethyl)oxamide is sourced from PubChem (CID 135954086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).