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

C11H18N2O3 — CID 63810122

IUPAC3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCOC)c1=O
InChIInChI=1S/C11H18N2O3/c1-3-6-12-8-5-10(14)13(11(12)15)7-4-9-16-2/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyCWXRDOUEGOAJLC-UHFFFAOYSA-N
MW226.28 g/mol
LogP0.46
Rot. Bonds6

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

3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione (PubChem CID 63810122) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
PubChem CID63810122
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Name3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCOC)c1=O
InChIInChI=1S/C11H18N2O3/c1-3-6-12-8-5-10(14)13(11(12)15)7-4-9-16-2/h5,8H,3-4,6-7,9H2,1-2H3
InChIKeyCWXRDOUEGOAJLC-UHFFFAOYSA-N
XLogP0.46
TPSA53.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 50.46
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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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione (CID 63810122) is 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCCOC)c1=O.
What is the InChIKey of 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione?
The InChIKey is CWXRDOUEGOAJLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-3-6-12-8-5-10(14)13(11(12)15)7-4-9-16-2/h5,8H,3-4,6-7,9H2,1-2H3.
What are the key properties of 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione?
3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione has a molecular weight of 226.28 g/mol, XLogP of 0.46, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxypropyl)-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63810122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).