N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide

C13H17N5O3 — CID 135753046

IUPACN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COC)n1
InChIInChI=1S/C13H17N5O3/c1-4-9-6-11(19)16-13(14-9)18-10(5-8(2)17-18)15-12(20)7-21-3/h5-6H,4,7H2,1-3H3,(H,15,20)(H,14,16,19)
InChIKeyUNYIFTTVJCZBLF-UHFFFAOYSA-N
MW291.31 g/mol
LogP0.41
Rot. Bonds5

About N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide

N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide (PubChem CID 135753046) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide
PubChem CID135753046
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC NameN-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide
SMILESCCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COC)n1
InChIInChI=1S/C13H17N5O3/c1-4-9-6-11(19)16-13(14-9)18-10(5-8(2)17-18)15-12(20)7-21-3/h5-6H,4,7H2,1-3H3,(H,15,20)(H,14,16,19)
InChIKeyUNYIFTTVJCZBLF-UHFFFAOYSA-N
XLogP0.41
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-methyl-3,4-dihydropyrimidin-4-one
CID 135778888
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-ethyl-3,4-dihydropyrimidin-4-one
CID 135876292
6-ethyl-2,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-5-one
CID 135412467
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-6-propyl-3,4-dihydropyrimidin-4-one
CID 135876298
N-(1-(4,5-dimethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)isobutyramide
CID 135551469
2-[5-(2-methoxyethylamino)-3-methylpyrazol-1-yl]-4-(trifluoromethyl)-1H-pyrimidin-6-one
CID 162669511
N-(1-(4-ethyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)acetamide
CID 135753026
N-(3-methyl-1-(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-1H-pyrazol-5-yl)isobutyramide
CID 135752890
N-[1-(4-ethyl-6-oxo-1,6-dihydro-2-pyrimidinyl)-3-methyl-5-pyrazolyl]cyclopropanecarboxamide
CID 135753036
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5-ethyl-6-methylpyrimidin-4(3H)-one
CID 135876299
2,7-Dimethylpyrazolo[1,5-a]pyrimidin-5-ol
CID 135420556
2-(5-amino-3-methyl-1H-pyrazol-1-yl)-5,6-dimethyl-3,4-dihydropyrimidin-4-one
CID 136027792

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide?
The IUPAC name of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide (CID 135753046) is N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide.
What is the SMILES notation for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide?
The canonical SMILES for N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide is CCc1cc(=O)[nH]c(-n2nc(C)cc2NC(=O)COC)n1.
What is the InChIKey of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide?
The InChIKey is UNYIFTTVJCZBLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-4-9-6-11(19)16-13(14-9)18-10(5-8(2)17-18)15-12(20)7-21-3/h5-6H,4,7H2,1-3H3,(H,15,20)(H,14,16,19).
What are the key properties of N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide?
N-[2-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)-5-methylpyrazol-3-yl]-2-methoxyacetamide has a molecular weight of 291.31 g/mol, XLogP of 0.41, 5 rotatable bonds, 2 hydrogen bond donors, and 6 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]-2-methoxyacetamide is sourced from PubChem (CID 135753046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).