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

C19H17N3O3 — CID 136815025

IUPACN-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c(=O)c2NC(C)=O)cc1
InChIInChI=1S/C19H17N3O3/c1-12(23)20-17-16(13-8-10-15(25-2)11-9-13)21-18(22-19(17)24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyODFXHQDECVNBEX-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.07
Rot. Bonds4

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

N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide (PubChem CID 136815025) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide
PubChem CID136815025
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC NameN-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide
SMILESCOc1ccc(-c2nc(-c3ccccc3)[nH]c(=O)c2NC(C)=O)cc1
InChIInChI=1S/C19H17N3O3/c1-12(23)20-17-16(13-8-10-15(25-2)11-9-13)21-18(22-19(17)24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,23)(H,21,22,24)
InChIKeyODFXHQDECVNBEX-UHFFFAOYSA-N
XLogP3.07
TPSA84.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-oxo-2-phenyl-4-pyridin-3-yl-1H-pyrimidin-5-yl)acetamide
CID 136815026
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495721
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
methyl 4-(5-methyl-6-oxo-4-phenyl-1H-pyrimidin-2-yl)benzoate
CID 137316253
methyl 4-(5-methyl-6-oxo-2-phenyl-1H-pyrimidin-4-yl)benzoate
CID 137316255
ethyl 4-(4-methoxyphenyl)-2-phenyl-1H-imidazole-5-carboxylate
CID 44605731
N-[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]acetamide
CID 135280728
2-[4-(4,5-diphenyl-1H-imidazol-2-yl)phenoxy]-N-(4-methoxyphenyl)acetamide
CID 155908619
4,5-bis(4-methoxyphenyl)-N-phenyl-1H-imidazole-2-carboxamide
CID 14100144
4-hydroxy-2,5-bis(4-methoxyphenyl)-1H-pyrimidin-6-one
CID 165345881
2-(4-methoxyphenyl)-5-methyl-4-[4-[[4-(5-methyl-4-phenyl-1H-imidazol-2-yl)phenyl]methyl]phenyl]-1H-imidazole
CID 142406883

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide?
The IUPAC name of N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide (CID 136815025) is N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide.
What is the SMILES notation for N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide?
The canonical SMILES for N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide is COc1ccc(-c2nc(-c3ccccc3)[nH]c(=O)c2NC(C)=O)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide?
The InChIKey is ODFXHQDECVNBEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12(23)20-17-16(13-8-10-15(25-2)11-9-13)21-18(22-19(17)24)14-6-4-3-5-7-14/h3-11H,1-2H3,(H,20,23)(H,21,22,24).
What are the key properties of N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide?
N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide has a molecular weight of 335.36 g/mol, XLogP of 3.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)-6-oxo-2-phenyl-1H-pyrimidin-5-yl]acetamide is sourced from PubChem (CID 136815025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).