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

C12H18BrN3O — CID 136970670

IUPAC5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1Br)C1CCCCC1
InChIInChI=1S/C12H18BrN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyDFQWFKCBWLDZTR-UHFFFAOYSA-N
MW300.20 g/mol
LogP2.69
Rot. Bonds3

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

5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one (PubChem CID 136970670) has the molecular formula C12H18BrN3O and a molecular weight of 300.20 g/mol. Its IUPAC name is 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one
PubChem CID136970670
Molecular FormulaC12H18BrN3O
Molecular Weight300.20 g/mol
Exact Mass299.06
IUPAC Name5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one
SMILESCCN(c1nc[nH]c(=O)c1Br)C1CCCCC1
InChIInChI=1S/C12H18BrN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17)
InChIKeyDFQWFKCBWLDZTR-UHFFFAOYSA-N
XLogP2.69
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.20
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-Bromo-6-[(4,4-difluorocyclohexyl)amino]-2,3-dimethylpyrimidin-4-one
CID 177234056
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-3-[2-(cyclohexylamino)ethyl]pyrimidin-4-one
CID 66310001
5-Bromo-2-cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135483274
5-bromo-4-[cyclobutylmethyl(ethyl)amino]-1H-pyrimidin-6-one
CID 136716229
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
5-bromo-4-[propan-2-yl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136780976
5-bromo-4-[butyl(pyrrolidin-2-ylmethyl)amino]-1H-pyrimidin-6-one
CID 136781010
4-[[(1R,2R)-2-aminocyclohexyl]amino]-5-bromo-1H-pyrimidin-6-one
CID 136792795

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one (CID 136970670) is 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one is CCN(c1nc[nH]c(=O)c1Br)C1CCCCC1.
What is the InChIKey of 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one?
The InChIKey is DFQWFKCBWLDZTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrN3O/c1-2-16(9-6-4-3-5-7-9)11-10(13)12(17)15-8-14-11/h8-9H,2-7H2,1H3,(H,14,15,17).
What are the key properties of 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one?
5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one has a molecular weight of 300.20 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[cyclohexyl(ethyl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136970670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).