3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione

C15H27N3O2 — CID 63811217

IUPAC3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCCNCC(C)C)c1=O
InChIInChI=1S/C15H27N3O2/c1-4-9-17-11-7-14(19)18(15(17)20)10-6-5-8-16-12-13(2)3/h7,11,13,16H,4-6,8-10,12H2,1-3H3
InChIKeyARZROBHEBLKHMX-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.45
Rot. Bonds9

About 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione

3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione (PubChem CID 63811217) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione
PubChem CID63811217
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione
SMILESCCCn1ccc(=O)n(CCCCNCC(C)C)c1=O
InChIInChI=1S/C15H27N3O2/c1-4-9-17-11-7-14(19)18(15(17)20)10-6-5-8-16-12-13(2)3/h7,11,13,16H,4-6,8-10,12H2,1-3H3
InChIKeyARZROBHEBLKHMX-UHFFFAOYSA-N
XLogP1.45
TPSA56.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.45
H-Bond Donors ≤ 51
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-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione?
The IUPAC name of 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione (CID 63811217) is 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione?
The canonical SMILES for 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione is CCCn1ccc(=O)n(CCCCNCC(C)C)c1=O.
What is the InChIKey of 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione?
The InChIKey is ARZROBHEBLKHMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-9-17-11-7-14(19)18(15(17)20)10-6-5-8-16-12-13(2)3/h7,11,13,16H,4-6,8-10,12H2,1-3H3.
What are the key properties of 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione?
3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 1.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-methylpropylamino)butyl]-1-propylpyrimidine-2,4-dione is sourced from PubChem (CID 63811217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).