2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide

C17H21N3O3 — CID 121063523

IUPAC2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C17H21N3O3/c1-3-4-7-13-10-17(22)20(12-18-13)11-16(21)19-14-8-5-6-9-15(14)23-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,19,21)
InChIKeyDNHYJUUXRKIRQF-UHFFFAOYSA-N
MW315.37 g/mol
LogP2.23
Rot. Bonds7

About 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide (PubChem CID 121063523) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
PubChem CID121063523
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
SMILESCCCCc1cc(=O)n(CC(=O)Nc2ccccc2OC)cn1
InChIInChI=1S/C17H21N3O3/c1-3-4-7-13-10-17(22)20(12-18-13)11-16(21)19-14-8-5-6-9-15(14)23-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,19,21)
InChIKeyDNHYJUUXRKIRQF-UHFFFAOYSA-N
XLogP2.23
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-ethoxyphenyl)acetamide
CID 121063547
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide
CID 121064425
N-(2,5-dimethoxyphenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064295
N-(1,3-benzothiazol-2-yl)-2-(4-butyl-6-oxopyrimidin-1-yl)acetamide
CID 121063537
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(3,4-difluorophenyl)acetamide
CID 121063521
N-(2-methoxyphenyl)-2-(8-methyl-4-oxoquinazolin-3-yl)acetamide
CID 17397655
2-(4-ethyl-6-oxopyrimidin-1-yl)-N-[2-methoxy-5-(trifluoromethyl)phenyl]acetamide
CID 121064393
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-cyano-4-nitrophenyl)acetamide
CID 121063612
N-(2-cyanophenyl)-2-(4-ethyl-6-oxopyrimidin-1-yl)acetamide
CID 121064373
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(4-fluoro-3-nitrophenyl)acetamide
CID 121063585
N-(2-methoxyphenyl)-2-(3-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidin-5-yl)acetamide
CID 53086653
N-(2-methoxyphenyl)-2-[1-(4-methylphenyl)-4-oxopyrazolo[5,4-d]pyrimidin-5-yl]acetamide
CID 1433592

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide (CID 121063523) is 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide is CCCCc1cc(=O)n(CC(=O)Nc2ccccc2OC)cn1.
What is the InChIKey of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide?
The InChIKey is DNHYJUUXRKIRQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-4-7-13-10-17(22)20(12-18-13)11-16(21)19-14-8-5-6-9-15(14)23-2/h5-6,8-10,12H,3-4,7,11H2,1-2H3,(H,19,21).
What are the key properties of 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide?
2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide has a molecular weight of 315.37 g/mol, XLogP of 2.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-butyl-6-oxopyrimidin-1-yl)-N-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 121063523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).