6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione

C19H17N3O3 — CID 5280006

IUPAC6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(C(=O)c2ccccc2)n(Cc2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-2-15-16(17(23)14-6-4-3-5-7-14)22(19(25)21-18(15)24)12-13-8-10-20-11-9-13/h3-11H,2,12H2,1H3,(H,21,24,25)
InChIKeyFJZJCIFOESKTMI-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.77
Rot. Bonds5

About 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione

6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione (PubChem CID 5280006) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
PubChem CID5280006
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
SMILESCCc1c(C(=O)c2ccccc2)n(Cc2ccncc2)c(=O)[nH]c1=O
InChIInChI=1S/C19H17N3O3/c1-2-15-16(17(23)14-6-4-3-5-7-14)22(19(25)21-18(15)24)12-13-8-10-20-11-9-13/h3-11H,2,12H2,1H3,(H,21,24,25)
InChIKeyFJZJCIFOESKTMI-UHFFFAOYSA-N
XLogP1.77
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(3,5-dibromophenyl)methyl]-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
CID 15957765
6-(3,5-dimethylbenzoyl)-1-[(9,10-dioxoanthracen-2-yl)methyl]-5-ethylpyrimidine-2,4-dione
CID 15957783
6-(3,5-dichlorophenyl)sulfanyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione
CID 5279997
1-[(2-amino-6-methyl-4-pyridinyl)methyl]-6-(4,6-dimethylpyridine-2-carbonyl)-5-ethylpyrimidine-2,4-dione
CID 142691082
1-(4-chlorobut-2-enyl)-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
CID 54105155
diphenylmethanone;1-pyridin-4-ylpropan-2-one
CID 174822420
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
6-benzoyl-2,4-dioxo-1-(phenylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 141371447
6-benzyl-5-ethyl-1-pentylpyrimidine-2,4-dione
CID 142656446
1-but-2-enyl-6-(3,5-dimethylbenzoyl)-5-ethylpyrimidine-2,4-dione
CID 54164818
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
6-(3,5-dimethylbenzoyl)-5-ethyl-3-(pyridin-3-ylmethyl)-1H-pyrimidine-2,4-dione
CID 70206665

Frequently Asked Questions

What is the IUPAC name of 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione (CID 5280006) is 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione is CCc1c(C(=O)c2ccccc2)n(Cc2ccncc2)c(=O)[nH]c1=O.
What is the InChIKey of 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is FJZJCIFOESKTMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-2-15-16(17(23)14-6-4-3-5-7-14)22(19(25)21-18(15)24)12-13-8-10-20-11-9-13/h3-11H,2,12H2,1H3,(H,21,24,25).
What are the key properties of 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione?
6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 335.36 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzoyl-5-ethyl-1-(pyridin-4-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 5280006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).