5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one

C10H17BrN4O — CID 66309587

IUPAC5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one
SMILESCN(C)CCNCCn1cncc(Br)c1=O
InChIInChI=1S/C10H17BrN4O/c1-14(2)5-3-12-4-6-15-8-13-7-9(11)10(15)16/h7-8,12H,3-6H2,1-2H3
InChIKeyHDZNKMKITNVJFI-UHFFFAOYSA-N
MW289.18 g/mol
LogP0.16
Rot. Bonds6

About 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one

5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one (PubChem CID 66309587) has the molecular formula C10H17BrN4O and a molecular weight of 289.18 g/mol. Its IUPAC name is 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one
PubChem CID66309587
Molecular FormulaC10H17BrN4O
Molecular Weight289.18 g/mol
Exact Mass288.06
IUPAC Name5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one
SMILESCN(C)CCNCCn1cncc(Br)c1=O
InChIInChI=1S/C10H17BrN4O/c1-14(2)5-3-12-4-6-15-8-13-7-9(11)10(15)16/h7-8,12H,3-6H2,1-2H3
InChIKeyHDZNKMKITNVJFI-UHFFFAOYSA-N
XLogP0.16
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.18
LogP ≤ 50.16
H-Bond Donors ≤ 51
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-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one (CID 66309587) is 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one is CN(C)CCNCCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one?
The InChIKey is HDZNKMKITNVJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17BrN4O/c1-14(2)5-3-12-4-6-15-8-13-7-9(11)10(15)16/h7-8,12H,3-6H2,1-2H3.
What are the key properties of 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one?
5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one has a molecular weight of 289.18 g/mol, XLogP of 0.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-[2-(dimethylamino)ethylamino]ethyl]pyrimidin-4-one is sourced from PubChem (CID 66309587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).