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

C16H24BrN3O — CID 136970931

IUPAC5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(C2CCCCC2)C2CCCCC2)c1Br
InChIInChI=1S/C16H24BrN3O/c17-14-15(18-11-19-16(14)21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19,21)
InChIKeyQHFCWRBIHAHVKW-UHFFFAOYSA-N
MW354.29 g/mol
LogP4.00
Rot. Bonds3

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

5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one (PubChem CID 136970931) has the molecular formula C16H24BrN3O and a molecular weight of 354.29 g/mol. Its IUPAC name is 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one
PubChem CID136970931
Molecular FormulaC16H24BrN3O
Molecular Weight354.29 g/mol
Exact Mass353.11
IUPAC Name5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N(C2CCCCC2)C2CCCCC2)c1Br
InChIInChI=1S/C16H24BrN3O/c17-14-15(18-11-19-16(14)21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19,21)
InChIKeyQHFCWRBIHAHVKW-UHFFFAOYSA-N
XLogP4.00
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-aminocyclohexyl)-methylamino]-5-bromo-1H-pyrimidin-6-one
CID 136807849
5-bromo-4-[(2-bromocyclohexyl)-methylamino]-1H-pyrimidin-6-one
CID 136859487
5-bromo-4-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-1H-pyrimidin-6-one
CID 136878590
5-bromo-4-(cyclohexylamino)-1H-pyrimidin-6-one
CID 136955880
5-bromo-4-[3-(2-methylpiperidin-1-yl)propylamino]-1H-pyrimidin-6-one
CID 136955967
5-bromo-4-[3-[cyclohexyl(methyl)amino]propylamino]-1H-pyrimidin-6-one
CID 136956210
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-piperidin-1-yl-1H-pyrimidin-6-one
CID 136957379
5-bromo-4-[methyl(pentyl)amino]-1H-pyrimidin-6-one
CID 136957468
5-bromo-4-[4-(dimethylamino)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136957499

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one (CID 136970931) is 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one is O=c1[nH]cnc(N(C2CCCCC2)C2CCCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one?
The InChIKey is QHFCWRBIHAHVKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrN3O/c17-14-15(18-11-19-16(14)21)20(12-7-3-1-4-8-12)13-9-5-2-6-10-13/h11-13H,1-10H2,(H,18,19,21).
What are the key properties of 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one?
5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one has a molecular weight of 354.29 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(dicyclohexylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136970931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).