2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide

C15H17N3O3 — CID 135504528

IUPAC2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCOc1ccc(Cc2nc(C)c(CC(N)=O)c(=O)[nH]2)cc1
InChIInChI=1S/C15H17N3O3/c1-9-12(8-13(16)19)15(20)18-14(17-9)7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyCFVPDHHAKAELRZ-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.71
Rot. Bonds5

About 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide

2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide (PubChem CID 135504528) has the molecular formula C15H17N3O3 and a molecular weight of 287.32 g/mol. Its IUPAC name is 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound Name2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
PubChem CID135504528
Molecular FormulaC15H17N3O3
Molecular Weight287.32 g/mol
Exact Mass287.13
IUPAC Name2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide
SMILESCOc1ccc(Cc2nc(C)c(CC(N)=O)c(=O)[nH]2)cc1
InChIInChI=1S/C15H17N3O3/c1-9-12(8-13(16)19)15(20)18-14(17-9)7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,19)(H,17,18,20)
InChIKeyCFVPDHHAKAELRZ-UHFFFAOYSA-N
XLogP0.71
TPSA98.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

5-Pyrimidineacetic acid, 6-hydroxy-2-(4-isopropoxybenzyl)-4-methyl-
CID 135432452
5-Pyrimidineacetic acid, 4-hydroxy-2-(p-isopropoxybenzyl)-6-methyl-, ethyl ester
CID 135460619
2-Amino-6-(4-methoxyphenyl)pyrimidin-4-ol
CID 135648979
5-ethyl-3-(4-methoxyphenyl)-2-methylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 971409
4-Hydroxy-6-(4-methoxyphenyl)-2-phenyl-5-pyrimidinecarbonitrile
CID 135501757
2-(4-methoxybenzyl)-5-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 879313
2-[(E)-2-(4-methoxyphenyl)ethenyl]-6-phenyl-1H-pyrimidin-4-one
CID 135437680
4(1H)-Pyrimidinone, 2-butoxy-6-((4-methoxyphenyl)methyl)-
CID 135538688
6-butyl-3-(4-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 16457434
2-(4-Isopropoxybenzyl)-6-methyl-4-pyrimidinol
CID 135449245
2-(4-Methoxyphenyl)-7,8-dihydro-3H-pyrano[4,3-D]pyrimidin-4(5H)-one
CID 135741853
6-ethyl-3-(2-methoxyphenyl)-2,5-dimethylpyrazolo[1,5-a]pyrimidin-7(4H)-one
CID 977455

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide (CID 135504528) is 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide is COc1ccc(Cc2nc(C)c(CC(N)=O)c(=O)[nH]2)cc1.
What is the InChIKey of 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
The InChIKey is CFVPDHHAKAELRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3/c1-9-12(8-13(16)19)15(20)18-14(17-9)7-10-3-5-11(21-2)6-4-10/h3-6H,7-8H2,1-2H3,(H2,16,19)(H,17,18,20).
What are the key properties of 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide?
2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide has a molecular weight of 287.32 g/mol, XLogP of 0.71, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-methoxyphenyl)methyl]-4-methyl-6-oxo-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 135504528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).