3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione

C12H20N2O3 — CID 63811890

IUPAC3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCOC(C)C)c1=O
InChIInChI=1S/C12H20N2O3/c1-4-6-13-7-5-11(15)14(12(13)16)8-9-17-10(2)3/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyLJKCYLPSYQOQGA-UHFFFAOYSA-N
MW240.30 g/mol
LogP0.85
Rot. Bonds6

About 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione

3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63811890) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
PubChem CID63811890
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Name3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCOC(C)C)c1=O
InChIInChI=1S/C12H20N2O3/c1-4-6-13-7-5-11(15)14(12(13)16)8-9-17-10(2)3/h5,7,10H,4,6,8-9H2,1-3H3
InChIKeyLJKCYLPSYQOQGA-UHFFFAOYSA-N
XLogP0.85
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione (CID 63811890) is 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCOC(C)C)c1=O.
What is the InChIKey of 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is LJKCYLPSYQOQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-4-6-13-7-5-11(15)14(12(13)16)8-9-17-10(2)3/h5,7,10H,4,6,8-9H2,1-3H3.
What are the key properties of 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione?
3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 240.30 g/mol, XLogP of 0.85, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-propan-2-yloxyethyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63811890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).