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

C13H18BrN3O — CID 66308944

IUPAC5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCNC(C1CC1)C1CC1
InChIInChI=1S/C13H18BrN3O/c14-11-7-15-8-17(13(11)18)6-5-16-12(9-1-2-9)10-3-4-10/h7-10,12,16H,1-6H2
InChIKeyYWSWJKIHHZVSHU-UHFFFAOYSA-N
MW312.21 g/mol
LogP1.78
Rot. Bonds6

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

5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one (PubChem CID 66308944) has the molecular formula C13H18BrN3O and a molecular weight of 312.21 g/mol. Its IUPAC name is 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one
PubChem CID66308944
Molecular FormulaC13H18BrN3O
Molecular Weight312.21 g/mol
Exact Mass311.06
IUPAC Name5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCNC(C1CC1)C1CC1
InChIInChI=1S/C13H18BrN3O/c14-11-7-15-8-17(13(11)18)6-5-16-12(9-1-2-9)10-3-4-10/h7-10,12,16H,1-6H2
InChIKeyYWSWJKIHHZVSHU-UHFFFAOYSA-N
XLogP1.78
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.21
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[2-(dicyclopropylmethylamino)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-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one (CID 66308944) is 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one is O=c1c(Br)cncn1CCNC(C1CC1)C1CC1.
What is the InChIKey of 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
The InChIKey is YWSWJKIHHZVSHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O/c14-11-7-15-8-17(13(11)18)6-5-16-12(9-1-2-9)10-3-4-10/h7-10,12,16H,1-6H2.
What are the key properties of 5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one has a molecular weight of 312.21 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-(dicyclopropylmethylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66308944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).