5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one

C11H18BrN3O — CID 66310648

IUPAC5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCCCC(C)NCCn1cncc(Br)c1=O
InChIInChI=1S/C11H18BrN3O/c1-3-4-9(2)14-5-6-15-8-13-7-10(12)11(15)16/h7-9,14H,3-6H2,1-2H3
InChIKeyGLQKEQWJBWVIJH-UHFFFAOYSA-N
MW288.19 g/mol
LogP1.78
Rot. Bonds6

About 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one

5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one (PubChem CID 66310648) has the molecular formula C11H18BrN3O and a molecular weight of 288.19 g/mol. Its IUPAC name is 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
PubChem CID66310648
Molecular FormulaC11H18BrN3O
Molecular Weight288.19 g/mol
Exact Mass287.06
IUPAC Name5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one
SMILESCCCC(C)NCCn1cncc(Br)c1=O
InChIInChI=1S/C11H18BrN3O/c1-3-4-9(2)14-5-6-15-8-13-7-10(12)11(15)16/h7-9,14H,3-6H2,1-2H3
InChIKeyGLQKEQWJBWVIJH-UHFFFAOYSA-N
XLogP1.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one (CID 66310648) is 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one is CCCC(C)NCCn1cncc(Br)c1=O.
What is the InChIKey of 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
The InChIKey is GLQKEQWJBWVIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18BrN3O/c1-3-4-9(2)14-5-6-15-8-13-7-10(12)11(15)16/h7-9,14H,3-6H2,1-2H3.
What are the key properties of 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one has a molecular weight of 288.19 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(pentan-2-ylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66310648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).