1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione

C15H27N3O2 — CID 3125139

IUPAC1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)CCCCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C15H27N3O2/c1-5-17(6-2)10-8-7-9-11-18-13(3)12-14(19)16(4)15(18)20/h12H,5-11H2,1-4H3
InChIKeyLSTJPKNJLXNESU-UHFFFAOYSA-N
MW281.40 g/mol
LogP1.37
Rot. Bonds8

About 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione

1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione (PubChem CID 3125139) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione
PubChem CID3125139
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione
SMILESCCN(CC)CCCCCn1c(C)cc(=O)n(C)c1=O
InChIInChI=1S/C15H27N3O2/c1-5-17(6-2)10-8-7-9-11-18-13(3)12-14(19)16(4)15(18)20/h12H,5-11H2,1-4H3
InChIKeyLSTJPKNJLXNESU-UHFFFAOYSA-N
XLogP1.37
TPSA47.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 51.37
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 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
The IUPAC name of 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione (CID 3125139) is 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione is CCN(CC)CCCCCn1c(C)cc(=O)n(C)c1=O.
What is the InChIKey of 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
The InChIKey is LSTJPKNJLXNESU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-17(6-2)10-8-7-9-11-18-13(3)12-14(19)16(4)15(18)20/h12H,5-11H2,1-4H3.
What are the key properties of 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione?
1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione has a molecular weight of 281.40 g/mol, XLogP of 1.37, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(diethylamino)pentyl]-3,6-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 3125139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).