2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide

C21H21N3O4 — CID 90515515

IUPAC2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C21H21N3O4/c1-27-17-9-6-10-18(28-2)20(17)21(26)22-11-12-24-14-23-16(13-19(24)25)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)
InChIKeyIDOPJMQCEMVKOF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.36
Rot. Bonds7

About 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide

2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide (PubChem CID 90515515) has the molecular formula C21H21N3O4 and a molecular weight of 379.42 g/mol. Its IUPAC name is 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide.

Molecular Properties

Compound Name2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
PubChem CID90515515
Molecular FormulaC21H21N3O4
Molecular Weight379.42 g/mol
Exact Mass379.15
IUPAC Name2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
SMILESCOc1cccc(OC)c1C(=O)NCCn1cnc(-c2ccccc2)cc1=O
InChIInChI=1S/C21H21N3O4/c1-27-17-9-6-10-18(28-2)20(17)21(26)22-11-12-24-14-23-16(13-19(24)25)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,26)
InChIKeyIDOPJMQCEMVKOF-UHFFFAOYSA-N
XLogP2.36
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide 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

2-(2-methoxyphenyl)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515649
1-methyl-6-oxo-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]pyridazine-3-carboxamide
CID 90515674
2-(2-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515630
2-(4-acetyl-2-methoxyphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515599
5-methyl-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-1,2-oxazole-3-carboxamide
CID 90515715
2-chloro-6-fluoro-N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]benzamide
CID 90515800
3-nitro-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide
CID 90515527
(2S)-2-(2-chlorophenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]propanamide
CID 95369177
N-[2-[4-(4-fluorophenyl)-6-oxopyrimidin-1-yl]ethyl]-3,5-dimethoxybenzamide
CID 90516111
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-4-pyrrol-1-ylbenzamide
CID 56724534
2-(4-methylphenoxy)-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]acetamide
CID 90515704
N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]-3,5-bis(trifluoromethyl)benzamide
CID 90515701

Frequently Asked Questions

What is the IUPAC name of 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
The IUPAC name of 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide (CID 90515515) is 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide.
What is the SMILES notation for 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
The canonical SMILES for 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide is COc1cccc(OC)c1C(=O)NCCn1cnc(-c2ccccc2)cc1=O.
What is the InChIKey of 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
The InChIKey is IDOPJMQCEMVKOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O4/c1-27-17-9-6-10-18(28-2)20(17)21(26)22-11-12-24-14-23-16(13-19(24)25)15-7-4-3-5-8-15/h3-10,13-14H,11-12H2,1-2H3,(H,22,26).
What are the key properties of 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide?
2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide has a molecular weight of 379.42 g/mol, XLogP of 2.36, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethoxy-N-[2-(6-oxo-4-phenylpyrimidin-1-yl)ethyl]benzamide is sourced from PubChem (CID 90515515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).