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

C10H14BrN3O — CID 136955880

IUPAC5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCC2)c1Br
InChIInChI=1S/C10H14BrN3O/c11-8-9(12-6-13-10(8)15)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyDZLIDXYXBMFIDT-UHFFFAOYSA-N
MW272.15 g/mol
LogP2.28
Rot. Bonds2

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

5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one (PubChem CID 136955880) has the molecular formula C10H14BrN3O and a molecular weight of 272.15 g/mol. Its IUPAC name is 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one
PubChem CID136955880
Molecular FormulaC10H14BrN3O
Molecular Weight272.15 g/mol
Exact Mass271.03
IUPAC Name5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NC2CCCCC2)c1Br
InChIInChI=1S/C10H14BrN3O/c11-8-9(12-6-13-10(8)15)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15)
InChIKeyDZLIDXYXBMFIDT-UHFFFAOYSA-N
XLogP2.28
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.15
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-bromo-4-(cyclohexylamino)-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

6-(Cyclohexylamino)pyrimidin-4(1H)-one
CID 136271514
5-bromo-4-(5,5,5-trifluoropentylamino)-1H-pyrimidin-6-one
CID 136957056
5-Bromo-3-[3-(cyclohexylamino)propyl]pyrimidin-4-one
CID 66308105
5-Bromo-2-cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135483274
4-(5-aminopentylamino)-5-bromo-1H-pyrimidin-6-one
CID 136689849
5-bromo-4-(hex-5-ynylamino)-1H-pyrimidin-6-one
CID 136736684
4-(6-aminohexylamino)-5-bromo-1H-pyrimidin-6-one
CID 136755775
5-bromo-4-[(2-methylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 136778295
4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-bromo-1H-pyrimidin-6-one
CID 136792795
5-bromo-4-[piperidin-2-ylmethyl(propan-2-yl)amino]-1H-pyrimidin-6-one
CID 136805298
5-bromo-4-[ethyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805307
5-bromo-4-[methyl(piperidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136805314

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one (CID 136955880) is 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(NC2CCCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one?
The InChIKey is DZLIDXYXBMFIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrN3O/c11-8-9(12-6-13-10(8)15)14-7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,12,13,14,15).
What are the key properties of 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one?
5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one has a molecular weight of 272.15 g/mol, XLogP of 2.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136955880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).