3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one

C11H19N3O2 — CID 61224753

IUPAC3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one
SMILESCCCNCC(O)Cn1cnc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-4-12-6-10(15)7-14-8-13-9(2)5-11(14)16/h5,8,10,12,15H,3-4,6-7H2,1-2H3
InChIKeyWOIXYPIRTVBTQA-UHFFFAOYSA-N
MW225.29 g/mol
LogP-0.09
Rot. Bonds6

About 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one

3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one (PubChem CID 61224753) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one.

Molecular Properties

Compound Name3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one
PubChem CID61224753
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC Name3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one
SMILESCCCNCC(O)Cn1cnc(C)cc1=O
InChIInChI=1S/C11H19N3O2/c1-3-4-12-6-10(15)7-14-8-13-9(2)5-11(14)16/h5,8,10,12,15H,3-4,6-7H2,1-2H3
InChIKeyWOIXYPIRTVBTQA-UHFFFAOYSA-N
XLogP-0.09
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 5-0.09
H-Bond Donors ≤ 52
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-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one?
The IUPAC name of 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one (CID 61224753) is 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one.
What is the SMILES notation for 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one?
The canonical SMILES for 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one is CCCNCC(O)Cn1cnc(C)cc1=O.
What is the InChIKey of 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one?
The InChIKey is WOIXYPIRTVBTQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-3-4-12-6-10(15)7-14-8-13-9(2)5-11(14)16/h5,8,10,12,15H,3-4,6-7H2,1-2H3.
What are the key properties of 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one?
3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one has a molecular weight of 225.29 g/mol, XLogP of -0.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-hydroxy-3-(propylamino)propyl]-6-methylpyrimidin-4-one is sourced from PubChem (CID 61224753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).