2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide

C19H21N5O3 — CID 7254152

IUPAC2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(-n2nc(C)cc2C)nc(C)cc1=O
InChIInChI=1S/C19H21N5O3/c1-12-10-18(26)23(19(20-12)24-14(3)9-13(2)22-24)11-17(25)21-15-7-5-6-8-16(15)27-4/h5-10H,11H2,1-4H3,(H,21,25)
InChIKeyCTKZJVVCOSMNDT-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.00
Rot. Bonds5

About 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide

2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (PubChem CID 7254152) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
PubChem CID7254152
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)Cn1c(-n2nc(C)cc2C)nc(C)cc1=O
InChIInChI=1S/C19H21N5O3/c1-12-10-18(26)23(19(20-12)24-14(3)9-13(2)22-24)11-17(25)21-15-7-5-6-8-16(15)27-4/h5-10H,11H2,1-4H3,(H,21,25)
InChIKeyCTKZJVVCOSMNDT-UHFFFAOYSA-N
XLogP2.00
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 7254172
N-(2-methoxyphenyl)-2-[4-methyl-6-oxo-2-(2-phenylethylsulfanyl)pyrimidin-1-yl]acetamide
CID 7748780
N-(3,4-dimethoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27477341
N-(2,3-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]acetamide
CID 18567052
N-(5-chloro-2-methoxyphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-6,7-dihydro-5H-cyclopenta[d]pyrimidin-3-yl]acetamide
CID 41107154
N-(3,5-dimethylphenyl)-2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-phenylpyrimidin-1-yl]acetamide
CID 27476189
ethyl 2-[[2-[2-(3,5-dimethylpyrazol-1-yl)-4-oxo-5,6,7,8-tetrahydroquinazolin-3-yl]acetyl]amino]benzoate
CID 18572112
2-(2-amino-4-methyl-6-oxopyrimidin-1-yl)-N-(2-methoxy-5-methylphenyl)acetamide
CID 53201660
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
2-[2-(3,5-dimethylpyrazol-1-yl)-4-ethyl-6-oxopyrimidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 16835863
2-[2-(3,5-dimethylpyrazol-1-yl)-6-oxo-4-propylpyrimidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 7588316
2-[3-(3,5-dimethylpyrazol-1-yl)-6-oxopyridazin-1-yl]-N-(2-methoxyphenyl)propanamide
CID 90517884

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide (CID 7254152) is 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)Cn1c(-n2nc(C)cc2C)nc(C)cc1=O.
What is the InChIKey of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
The InChIKey is CTKZJVVCOSMNDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-10-18(26)23(19(20-12)24-14(3)9-13(2)22-24)11-17(25)21-15-7-5-6-8-16(15)27-4/h5-10H,11H2,1-4H3,(H,21,25).
What are the key properties of 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide?
2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide has a molecular weight of 367.41 g/mol, XLogP of 2.00, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-dimethylpyrazol-1-yl)-4-methyl-6-oxopyrimidin-1-yl]-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7254152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).