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

C14H17N3O2 — CID 63812391

IUPAC1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCc2ccccn2)c1=O
InChIInChI=1S/C14H17N3O2/c1-2-9-16-10-7-13(18)17(14(16)19)11-6-12-5-3-4-8-15-12/h3-5,7-8,10H,2,6,9,11H2,1H3
InChIKeyOOUCBXFRIHYUTK-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.06
Rot. Bonds5

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

1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione (PubChem CID 63812391) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
PubChem CID63812391
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCc2ccccn2)c1=O
InChIInChI=1S/C14H17N3O2/c1-2-9-16-10-7-13(18)17(14(16)19)11-6-12-5-3-4-8-15-12/h3-5,7-8,10H,2,6,9,11H2,1H3
InChIKeyOOUCBXFRIHYUTK-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-aminopropyl)-1-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione
CID 106933905
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]-1-propylpyrimidine-2,4-dione
CID 55239012
3-[(2,6-dioxo-3-propylpyrimidin-1-yl)methyl]pyridine-2-carbothioamide
CID 63801009
1-propyl-3-(1,3-thiazol-4-ylmethyl)pyrimidine-2,4-dione
CID 63812232
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
CID 63810122
3-[(5-bromo-2-pyridinyl)methyl]-1-propylpyrimidine-2,4-dione
CID 104809272
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
CID 63811890
1-(2-pyridin-2-ylethyl)pyrrolidine-2,5-dione
CID 571854
1-(2-pyridin-2-ylethyl)-2-sulfanylidenepyrimidin-4-one
CID 62403256
3-[(4-chlorophenyl)methyl]-1-propylpyrimidine-2,4-dione
CID 55239205

Frequently Asked Questions

What is the IUPAC name of 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The IUPAC name of 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione (CID 63812391) is 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The canonical SMILES for 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione is CCCn1ccc(=O)n(CCc2ccccn2)c1=O.
What is the InChIKey of 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
The InChIKey is OOUCBXFRIHYUTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-9-16-10-7-13(18)17(14(16)19)11-6-12-5-3-4-8-15-12/h3-5,7-8,10H,2,6,9,11H2,1H3.
What are the key properties of 1-propyl-3-(2-pyridin-2-ylethyl)pyrimidine-2,4-dione?
1-propyl-3-(2-pyridin-2-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-2-ylethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 63812391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).