3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione

C12H20N2O3 — CID 65177778

IUPAC3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCOCC)c1=O
InChIInChI=1S/C12H20N2O3/c1-3-7-13-9-6-11(15)14(12(13)16)8-5-10-17-4-2/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyPARVAXLYTXJCRT-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.85
Rot. Bonds7

About 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione

3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione (PubChem CID 65177778) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
PubChem CID65177778
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCOCC)c1=O
InChIInChI=1S/C12H20N2O3/c1-3-7-13-9-6-11(15)14(12(13)16)8-5-10-17-4-2/h6,9H,3-5,7-8,10H2,1-2H3
InChIKeyPARVAXLYTXJCRT-UHFFFAOYSA-N
XLogP0.85
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,3-diisobutylpyrimidine-2,4(1H,3H)-dione
CID 2883573
1-(1-butoxyethyl)pyrimidine-2,4(1H,3H)-dione
CID 2883480
1,3-Diethylpyrimidine-2,4(1H,3H)-dione
CID 12357930
1,3-Dipropylpyrimidine-2,4(1H,3H)-dione
CID 12357933
1,3-Dibutylpyrimidine-2,4(1H,3H)-dione
CID 71363686
1,3-Bis-(2-methoxyethyl)uracil
CID 86291685
2,4(1H,3H)-Pyrimidinedione, 1,3-bis(methoxymethyl)-
CID 542466
Uracil, 3-methyl-1-(tetrahydrofuran-2-yl)-
CID 551223
1,3-Di[2-(vinyloxy)ethyl]uracil
CID 129799974
1-Propyl-3-[2-(2,2,2-trifluoroethoxy)ethyl]pyrimidine-2,4-dione
CID 55238821
1-Methyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 55240925
1-Ethyl-3-[3-(2,2,2-trifluoroethoxy)propyl]pyrimidine-2,4-dione
CID 63810597

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione (CID 65177778) is 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCCOCC)c1=O.
What is the InChIKey of 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is PARVAXLYTXJCRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-3-7-13-9-6-11(15)14(12(13)16)8-5-10-17-4-2/h6,9H,3-5,7-8,10H2,1-2H3.
What are the key properties of 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione?
3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 0.85, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethoxypropyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 65177778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).