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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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).