N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide

C16H22N6O4 — CID 136641348

IUPACN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C16H22N6O4/c1-8-6-12(19-15(25)14(24)17-9(2)7-26-5)22(21-8)16-18-11(4)10(3)13(23)20-16/h6,9H,7H2,1-5H3,(H,17,24)(H,19,25)(H,18,20,23)
InChIKeyVIXGJKCDQFUSBL-UHFFFAOYSA-N
MW362.39 g/mol
LogP-0.03
Rot. Bonds5

About N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide

N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide (PubChem CID 136641348) has the molecular formula C16H22N6O4 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide.

Molecular Properties

Compound NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide
PubChem CID136641348
Molecular FormulaC16H22N6O4
Molecular Weight362.39 g/mol
Exact Mass362.17
IUPAC NameN-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide
SMILESCOCC(C)NC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1
InChIInChI=1S/C16H22N6O4/c1-8-6-12(19-15(25)14(24)17-9(2)7-26-5)22(21-8)16-18-11(4)10(3)13(23)20-16/h6,9H,7H2,1-5H3,(H,17,24)(H,19,25)(H,18,20,23)
InChIKeyVIXGJKCDQFUSBL-UHFFFAOYSA-N
XLogP-0.03
TPSA131.00 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 5-0.03
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-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551467
N-cyclopentyl-N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 135954167
N'-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 135954184
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(4-methoxyphenoxy)acetamide
CID 135551553
N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N-(3-propan-2-yloxypropyl)oxamide
CID 136641368
ethyl N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]carbamate
CID 135551754
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 135551580
2,5-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551527
4-(dimethylamino)-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 136636702
N-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]propanamide
CID 135551621
2,4-dichloro-N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]benzamide
CID 135551526
N-(3-ethoxypropyl)-N'-[2-(5-ethyl-4-methyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]oxamide
CID 136641370

Frequently Asked Questions

What is the IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide?
The IUPAC name of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide (CID 136641348) is N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide.
What is the SMILES notation for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide?
The canonical SMILES for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide is COCC(C)NC(=O)C(=O)Nc1cc(C)nn1-c1nc(C)c(C)c(=O)[nH]1.
What is the InChIKey of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide?
The InChIKey is VIXGJKCDQFUSBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O4/c1-8-6-12(19-15(25)14(24)17-9(2)7-26-5)22(21-8)16-18-11(4)10(3)13(23)20-16/h6,9H,7H2,1-5H3,(H,17,24)(H,19,25)(H,18,20,23).
What are the key properties of N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide?
N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide has a molecular weight of 362.39 g/mol, XLogP of -0.03, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4,5-dimethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-N'-(1-methoxypropan-2-yl)oxamide is sourced from PubChem (CID 136641348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).