1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione

C14H17N3O2 — CID 63811395

IUPAC1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCc2ccncc2)c1=O
InChIInChI=1S/C14H17N3O2/c1-2-9-16-10-6-13(18)17(14(16)19)11-5-12-3-7-15-8-4-12/h3-4,6-8,10H,2,5,9,11H2,1H3
InChIKeyVDUJMENIEWXNJZ-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.06
Rot. Bonds5

About 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione

1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione (PubChem CID 63811395) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
PubChem CID63811395
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCc2ccncc2)c1=O
InChIInChI=1S/C14H17N3O2/c1-2-9-16-10-6-13(18)17(14(16)19)11-5-12-3-7-15-8-4-12/h3-4,6-8,10H,2,5,9,11H2,1H3
InChIKeyVDUJMENIEWXNJZ-UHFFFAOYSA-N
XLogP1.06
TPSA56.89 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-Diethylisonicotinamide
CID 10735
N,N-bis(propan-2-yl)pyridine-4-carboxamide
CID 234345
1,3'-bipyridinium, 1'-(3-(dimethylamino)propyl)-6'-hydroxy-4'-methyl-2'-oxo-, inner salt
CID 14669967
1,3-dimethyl-5-(pyridin-3-ylmethylene)pyrimidine-2,4,6(1H,3H,5H)-trione
CID 3679605
(5Z)-5-(pyridin-4-ylmethylidene)imidazolidine-2,4-dione
CID 5916342
2-[(2R)-2,4-dimethylpiperazin-1-yl]-3-methyl-6-pyridin-4-ylpyrimidin-4-one
CID 25004925
(E)-N-hydroxy-3-[2-oxo-1-(pyridin-4-ylmethyl)-3-pyridinyl]prop-2-enamide
CID 49846419
(5Z)-3-propyl-5-(pyridin-4-ylmethylidene)-1,3-thiazolidine-2,4-dione
CID 134141813
N-Cyclohexyl-N-methyl-isonicotinamide
CID 719302
N-(benzylcarbamoyl)pyridine-4-carboxamide
CID 871557
1-Prop-2-enyl-5-[1-(3-pyridinylmethylamino)ethylidene]-1,3-diazinane-2,4,6-trione
CID 1397692
1,3-Dimethyl-5-{[(5-methyl(2-pyridyl))amino]methylene}-1,3-dihydropyrimidine-2,4,6-trione
CID 2369564

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione (CID 63811395) is 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione is CCCn1ccc(=O)n(CCc2ccncc2)c1=O.
What is the InChIKey of 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
The InChIKey is VDUJMENIEWXNJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-9-16-10-6-13(18)17(14(16)19)11-5-12-3-7-15-8-4-12/h3-4,6-8,10H,2,5,9,11H2,1H3.
What are the key properties of 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione?
1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione has a molecular weight of 259.31 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propyl-3-(2-pyridin-4-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63811395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).