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

C19H28N6O4 — CID 136641368

IUPACN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)NCCCOC(C)C)[nH]c1=O
InChIInChI=1S/C19H28N6O4/c1-6-14-13(5)21-19(23-16(14)26)25-15(10-12(4)24-25)22-18(28)17(27)20-8-7-9-29-11(2)3/h10-11H,6-9H2,1-5H3,(H,20,27)(H,22,28)(H,21,23,26)
InChIKeyFGNMQMZTLLGONP-UHFFFAOYSA-N
MW404.47 g/mol
LogP1.00
Rot. Bonds8

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

N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide (PubChem CID 136641368) has the molecular formula C19H28N6O4 and a molecular weight of 404.47 g/mol. Its IUPAC name is N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide.

Molecular Properties

Compound NameN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
PubChem CID136641368
Molecular FormulaC19H28N6O4
Molecular Weight404.47 g/mol
Exact Mass404.22
IUPAC NameN'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
SMILESCCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)NCCCOC(C)C)[nH]c1=O
InChIInChI=1S/C19H28N6O4/c1-6-14-13(5)21-19(23-16(14)26)25-15(10-12(4)24-25)22-18(28)17(27)20-8-7-9-29-11(2)3/h10-11H,6-9H2,1-5H3,(H,20,27)(H,22,28)(H,21,23,26)
InChIKeyFGNMQMZTLLGONP-UHFFFAOYSA-N
XLogP1.00
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 51.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 136641370
N'-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
CID 136641293
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-imidazol-1-ylpropyl)oxamide
CID 136641378
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 136641392
ethyl N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 135551754
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551621
N-(3-ethoxypropyl)-N'-[5-methyl-2-(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)pyrazol-3-yl]oxamide
CID 136641444
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]cyclopentanecarboxamide
CID 135551631
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide
CID 136641348
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2,5-dimethylfuran-3-carboxamide
CID 136636542
(E)-N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-3-(3,4,5-trimethoxyphenyl)prop-2-enamide
CID 135928105
N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 135954184

Frequently Asked Questions

What is the IUPAC name of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide?
The IUPAC name of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide (CID 136641368) is N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide.
What is the SMILES notation for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide?
The canonical SMILES for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide is CCc1c(C)nc(-n2nc(C)cc2NC(=O)C(=O)NCCCOC(C)C)[nH]c1=O.
What is the InChIKey of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide?
The InChIKey is FGNMQMZTLLGONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O4/c1-6-14-13(5)21-19(23-16(14)26)25-15(10-12(4)24-25)22-18(28)17(27)20-8-7-9-29-11(2)3/h10-11H,6-9H2,1-5H3,(H,20,27)(H,22,28)(H,21,23,26).
What are the key properties of N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide?
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide has a molecular weight of 404.47 g/mol, XLogP of 1.00, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide is sourced from PubChem (CID 136641368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).