5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one

C11H16BrN3O — CID 135483274

IUPAC5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCCCC2)[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-9(12)10(16)15-11(13-7)14-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyDQOWPMUBCYNTOQ-UHFFFAOYSA-N
MW286.17 g/mol
LogP2.59
Rot. Bonds2

About 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one

5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one (PubChem CID 135483274) has the molecular formula C11H16BrN3O and a molecular weight of 286.17 g/mol. Its IUPAC name is 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one
PubChem CID135483274
Molecular FormulaC11H16BrN3O
Molecular Weight286.17 g/mol
Exact Mass285.05
IUPAC Name5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(NC2CCCCC2)[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O/c1-7-9(12)10(16)15-11(13-7)14-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,13,14,15,16)
InChIKeyDQOWPMUBCYNTOQ-UHFFFAOYSA-N
XLogP2.59
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.17
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-Cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135452163
2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one;hydrochloride
CID 135887781
2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
CID 141111981
5-Bromo-3-[3-(cyclohexylamino)propyl]-6-methylpyrimidin-4-one
CID 66308151
5-bromo-2-(cyclopropylamino)-4-methyl-1H-pyrimidin-6-one
CID 136225312
5-bromo-4-methyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136225314
2-(azepan-1-yl)-5-bromo-4-methyl-1H-pyrimidin-6-one
CID 136256361
5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one
CID 136955880
5-bromo-4-(heptan-2-ylamino)-1H-pyrimidin-6-one
CID 136956494
5-bromo-4-(hexan-2-ylamino)-1H-pyrimidin-6-one
CID 136956527
5-bromo-4-(hexan-3-ylamino)-1H-pyrimidin-6-one
CID 136956531
5-bromo-4-[cyclohexyl(methyl)amino]-1H-pyrimidin-6-one
CID 136970665

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one (CID 135483274) is 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one is Cc1nc(NC2CCCCC2)[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one?
The InChIKey is DQOWPMUBCYNTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O/c1-7-9(12)10(16)15-11(13-7)14-8-5-3-2-4-6-8/h8H,2-6H2,1H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one?
5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one has a molecular weight of 286.17 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(cyclohexylamino)-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 135483274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).