5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one

C12H18BrN3O — CID 136955958

IUPAC5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCCCC2)c1Br
InChIInChI=1S/C12H18BrN3O/c13-10-11(14-8-15-12(10)17)16-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeySAGQFJVVRYJJES-UHFFFAOYSA-N
MW300.20 g/mol
LogP3.06
Rot. Bonds2

About 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one

5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one (PubChem CID 136955958) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
PubChem CID136955958
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCCCC2)c1Br
InChIInChI=1S/C12H18BrN3O/c13-10-11(14-8-15-12(10)17)16-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16,17)
InChIKeySAGQFJVVRYJJES-UHFFFAOYSA-N
XLogP3.06
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one with MolForge

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

Launch Full Analysis

Related Compounds

5-bromo-4-[(1,1-dioxothian-4-yl)amino]-1H-pyrimidin-6-one
CID 137015423
5-bromo-4-[(3-methylcyclobutyl)amino]-1H-pyrimidin-6-one
CID 136957244
5-bromo-4-[(3,5-dimethylcyclohexyl)amino]-1H-pyrimidin-6-one
CID 136956825
5-chloro-4-(cyclooctylamino)-1H-pyrimidin-6-one
CID 136973650
4-(cycloheptylamino)-5-iodo-1H-pyrimidin-6-one
CID 136956038
5-bromo-4-(3-tricyclo[3.2.1.02,4]octanylamino)-1H-pyrimidin-6-one
CID 136870661
5-chloro-4-(cyclobutylamino)-1H-pyrimidin-6-one
CID 136975373
5-bromo-4-[[2-(hydroxymethyl)cyclohexyl]methylamino]-1H-pyrimidin-6-one
CID 136956879
5-bromo-4-(propan-2-ylamino)-1H-pyrimidin-6-one
CID 136955885
5-bromo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956337
5-bromo-4-[(2-propylcyclopropyl)amino]-1H-pyrimidin-6-one
CID 136870770
5-bromo-4-(1-piperidin-3-ylethylamino)-1H-pyrimidin-6-one
CID 136989298

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one (CID 136955958) is 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCCCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one?
The InChIKey is SAGQFJVVRYJJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c13-10-11(14-8-15-12(10)17)16-9-6-4-2-1-3-5-7-9/h8-9H,1-7H2,(H2,14,15,16,17).
What are the key properties of 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one?
5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one has a molecular weight of 300.20 g/mol, XLogP of 3.06, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclooctylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).