5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one

C11H16BrN3O — CID 136970665

IUPAC5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCCCC1
InChIInChI=1S/C11H16BrN3O/c1-15(8-5-3-2-4-6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyQBHBJMVARMBJFU-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.30
Rot. Bonds2

About 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one

5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one (PubChem CID 136970665) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one
PubChem CID136970665
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one
SMILESCN(c1nc[nH]c(=O)c1Br)C1CCCCC1
InChIInChI=1S/C11H16BrN3O/c1-15(8-5-3-2-4-6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyQBHBJMVARMBJFU-UHFFFAOYSA-N
XLogP2.30
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-3-[3-(cyclohexylamino)propyl]pyrimidin-4-one
CID 66308105
5-Bromo-3-[3-(cyclohexylamino)propyl]-6-methylpyrimidin-4-one
CID 66308151
5-Bromo-3-[2-(cyclohexylamino)ethyl]-6-methylpyrimidin-4-one
CID 66309844
5-Bromo-2-cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135483274
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-[1-(dimethylamino)propan-2-yl-ethylamino]-1H-pyrimidin-6-one
CID 136800368
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
5-bromo-4-[piperidin-2-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805322

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one (CID 136970665) is 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one is CN(c1nc[nH]c(=O)c1Br)C1CCCCC1.
What is the InChIKey of 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one?
The InChIKey is QBHBJMVARMBJFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-15(8-5-3-2-4-6-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one has a molecular weight of 286.17 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).