5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one

C10H16BrN3O2 — CID 66310607

IUPAC5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCC(O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O2/c1-2-3-12-4-8(15)6-14-7-13-5-9(11)10(14)16/h5,7-8,12,15H,2-4,6H2,1H3
InChIKeyYSDHZHNRKFWIHP-UHFFFAOYSA-N
MW290.16 g/mol
LogP0.37
Rot. Bonds6

About 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one

5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one (PubChem CID 66310607) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one
PubChem CID66310607
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one
SMILESCCCNCC(O)Cn1cncc(Br)c1=O
InChIInChI=1S/C10H16BrN3O2/c1-2-3-12-4-8(15)6-14-7-13-5-9(11)10(14)16/h5,7-8,12,15H,2-4,6H2,1H3
InChIKeyYSDHZHNRKFWIHP-UHFFFAOYSA-N
XLogP0.37
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 50.37
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 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one (CID 66310607) is 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one is CCCNCC(O)Cn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
The InChIKey is YSDHZHNRKFWIHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-2-3-12-4-8(15)6-14-7-13-5-9(11)10(14)16/h5,7-8,12,15H,2-4,6H2,1H3.
What are the key properties of 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one?
5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one has a molecular weight of 290.16 g/mol, XLogP of 0.37, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-hydroxy-3-(propylamino)propyl]pyrimidin-4-one is sourced from PubChem (CID 66310607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).