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

C12H18BrN3O — CID 66310001

IUPAC5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCNC1CCCCC1
InChIInChI=1S/C12H18BrN3O/c13-11-8-14-9-16(12(11)17)7-6-15-10-4-2-1-3-5-10/h8-10,15H,1-7H2
InChIKeyQKFRSRLAMKUFDU-UHFFFAOYSA-N
MW300.20 g/mol
LogP1.93
Rot. Bonds4

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

5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one (PubChem CID 66310001) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one
PubChem CID66310001
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one
SMILESO=c1c(Br)cncn1CCNC1CCCCC1
InChIInChI=1S/C12H18BrN3O/c13-11-8-14-9-16(12(11)17)7-6-15-10-4-2-1-3-5-10/h8-10,15H,1-7H2
InChIKeyQKFRSRLAMKUFDU-UHFFFAOYSA-N
XLogP1.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-3-[2-(cyclohexylamino)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-(cyclohexylamino)ethyl]pyrimidin-4-one?
The IUPAC name of 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one (CID 66310001) is 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one is O=c1c(Br)cncn1CCNC1CCCCC1.
What is the InChIKey of 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one?
The InChIKey is QKFRSRLAMKUFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-11-8-14-9-16(12(11)17)7-6-15-10-4-2-1-3-5-10/h8-10,15H,1-7H2.
What are the key properties of 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one?
5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one has a molecular weight of 300.20 g/mol, XLogP of 1.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one is sourced from PubChem (CID 66310001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).