6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione

C21H21N3O3 — CID 70202944

IUPAC6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C21H21N3O3/c1-4-17-18(19(25)15-10-13(2)9-14(3)11-15)23-21(27)24(20(17)26)12-16-7-5-6-8-22-16/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKeyMQNMATHRTFXQAM-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.39
Rot. Bonds5

About 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione

6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione (PubChem CID 70202944) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
PubChem CID70202944
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione
SMILESCCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)n(Cc2ccccn2)c1=O
InChIInChI=1S/C21H21N3O3/c1-4-17-18(19(25)15-10-13(2)9-14(3)11-15)23-21(27)24(20(17)26)12-16-7-5-6-8-22-16/h5-11H,4,12H2,1-3H3,(H,23,27)
InChIKeyMQNMATHRTFXQAM-UHFFFAOYSA-N
XLogP2.39
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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3-Methyl-n-(1-oxy-3',4',5',6'-tetrahydro-2'h-(2,4'-bipyridine)-1'-ylmethyl)benzamide
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N,N-Dimethyl-3-(6-Methyl-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl)benzamide
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3-{6-[(2e)-But-2-En-1-Yl]-7-Oxo-6,7-Dihydro-1h-Pyrrolo[2,3-C]pyridin-4-Yl}-N,N-Dimethylbenzamide
CID 121335190
5-(4-Fluoro-phenyl)-7-methyl-8-oxo-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 9871891
7-Methyl-8-oxo-5-phenyl-7,8-dihydro-[1,7]naphthyridine-6-carboxylic acid (3,5-bis-trifluoromethyl-benzyl)-methyl-amide
CID 10369373
CID 24861238
CID 24861238
3-methyl-N-[oxo-[(2,4,6-trimethyl-3-pyridinyl)amino]methyl]benzamide
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N-(1-Phenylcarbamoyl-2-pyridin-4-yl-vinyl)-benzamide
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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione (CID 70202944) is 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione is CCc1c(C(=O)c2cc(C)cc(C)c2)[nH]c(=O)n(Cc2ccccn2)c1=O.
What is the InChIKey of 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is MQNMATHRTFXQAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-4-17-18(19(25)15-10-13(2)9-14(3)11-15)23-21(27)24(20(17)26)12-16-7-5-6-8-22-16/h5-11H,4,12H2,1-3H3,(H,23,27).
What are the key properties of 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione?
6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 363.42 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-2-ylmethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 70202944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).