3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione

C14H25N3O3 — CID 18004865

IUPAC3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione
SMILESCCCNCC(O)CCCCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C14H25N3O3/c1-3-8-15-11-12(18)6-4-5-9-17-13(19)7-10-16(2)14(17)20/h7,10,12,15,18H,3-6,8-9,11H2,1-2H3
InChIKeyLQFSXOQLNMLIHI-UHFFFAOYSA-N
MW283.37 g/mol
LogP0.08
Rot. Bonds9

About 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione

3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione (PubChem CID 18004865) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione
PubChem CID18004865
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione
SMILESCCCNCC(O)CCCCn1c(=O)ccn(C)c1=O
InChIInChI=1S/C14H25N3O3/c1-3-8-15-11-12(18)6-4-5-9-17-13(19)7-10-16(2)14(17)20/h7,10,12,15,18H,3-6,8-9,11H2,1-2H3
InChIKeyLQFSXOQLNMLIHI-UHFFFAOYSA-N
XLogP0.08
TPSA76.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione?
The IUPAC name of 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione (CID 18004865) is 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione.
What is the SMILES notation for 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione?
The canonical SMILES for 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione is CCCNCC(O)CCCCn1c(=O)ccn(C)c1=O.
What is the InChIKey of 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione?
The InChIKey is LQFSXOQLNMLIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-3-8-15-11-12(18)6-4-5-9-17-13(19)7-10-16(2)14(17)20/h7,10,12,15,18H,3-6,8-9,11H2,1-2H3.
What are the key properties of 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione?
3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione has a molecular weight of 283.37 g/mol, XLogP of 0.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-hydroxy-6-(propylamino)hexyl]-1-methylpyrimidine-2,4-dione is sourced from PubChem (CID 18004865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).