5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one

C9H15BrN4O — CID 158759436

IUPAC5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one
SMILESCN(C)CCCNc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C9H15BrN4O/c1-14(2)5-3-4-11-9-12-6-7(10)8(15)13-9/h6H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyFGASYXMPUSSMDW-UHFFFAOYSA-N
MW275.15 g/mol
LogP0.90
Rot. Bonds5

About 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one

5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one (PubChem CID 158759436) has the molecular formula C9H15BrN4O and a molecular weight of 275.15 g/mol. Its IUPAC name is 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one
PubChem CID158759436
Molecular FormulaC9H15BrN4O
Molecular Weight275.15 g/mol
Exact Mass274.04
IUPAC Name5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one
SMILESCN(C)CCCNc1ncc(Br)c(=O)[nH]1
InChIInChI=1S/C9H15BrN4O/c1-14(2)5-3-4-11-9-12-6-7(10)8(15)13-9/h6H,3-5H2,1-2H3,(H2,11,12,13,15)
InChIKeyFGASYXMPUSSMDW-UHFFFAOYSA-N
XLogP0.90
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.15
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one (CID 158759436) is 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one is CN(C)CCCNc1ncc(Br)c(=O)[nH]1.
What is the InChIKey of 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one?
The InChIKey is FGASYXMPUSSMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrN4O/c1-14(2)5-3-4-11-9-12-6-7(10)8(15)13-9/h6H,3-5H2,1-2H3,(H2,11,12,13,15).
What are the key properties of 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one?
5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one has a molecular weight of 275.15 g/mol, XLogP of 0.90, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(dimethylamino)propylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 158759436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).