N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide

C21H21N3O3 — CID 70711569

IUPACN-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)CCOc3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H21N3O3/c1-15-8-10-16(11-9-15)19-22-14-18(20(25)23-19)21(26)24(2)12-13-27-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,23,25)
InChIKeyNFLGNKUHSCGDTI-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.90
Rot. Bonds6

About N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide

N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide (PubChem CID 70711569) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
PubChem CID70711569
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC NameN-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide
SMILESCc1ccc(-c2ncc(C(=O)N(C)CCOc3ccccc3)c(=O)[nH]2)cc1
InChIInChI=1S/C21H21N3O3/c1-15-8-10-16(11-9-15)19-22-14-18(20(25)23-19)21(26)24(2)12-13-27-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,23,25)
InChIKeyNFLGNKUHSCGDTI-UHFFFAOYSA-N
XLogP2.90
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[2-(4-methylphenoxy)ethyl]benzamide
CID 60676178
6-oxo-2-(4-propoxyphenyl)-1H-pyrimidine-5-carboxylic acid
CID 82168270
5-(4-chlorophenyl)-N-methyl-N-(2-phenoxyethyl)-1H-pyrazole-4-carboxamide
CID 16596269
N-methyl-2-(4-methylphenyl)-6-oxo-N-(1-pyridin-2-ylethyl)-1H-pyrimidine-5-carboxamide
CID 70715770
N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718184
5-(4-methoxyphenyl)-N-methyl-N-[2-(4-methylphenoxy)ethyl]-1H-pyrazole-4-carboxamide
CID 78834288
N-[(5-ethyl-1,2,4-oxadiazol-3-yl)methyl]-N-methyl-2-(4-methylphenyl)-6-oxo-1H-pyrimidine-5-carboxamide
CID 70745592
3-fluoro-N-methyl-N-(2-phenoxyethyl)pyridine-4-carboxamide
CID 115645434
N-[(1R)-2-(dimethylamino)-1-phenylethyl]-N-methyl-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 97133707
1-methyl-3-[(4-methylphenyl)methyl]-1-(2-phenoxyethyl)urea
CID 27517654
N-methyl-2-(4-methylphenyl)-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-6-oxo-1H-pyrimidine-5-carboxamide
CID 70718296
N-(2-acetamidoethyl)-6-oxo-2-phenyl-1H-pyrimidine-5-carboxamide
CID 70725726

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide (CID 70711569) is N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide is Cc1ccc(-c2ncc(C(=O)N(C)CCOc3ccccc3)c(=O)[nH]2)cc1.
What is the InChIKey of N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide?
The InChIKey is NFLGNKUHSCGDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-15-8-10-16(11-9-15)19-22-14-18(20(25)23-19)21(26)24(2)12-13-27-17-6-4-3-5-7-17/h3-11,14H,12-13H2,1-2H3,(H,22,23,25).
What are the key properties of N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide?
N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(4-methylphenyl)-6-oxo-N-(2-phenoxyethyl)-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 70711569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).