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

C8H9BrN2O — CID 178200441

IUPAC5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(CC2CC2)c1Br
InChIInChI=1S/C8H9BrN2O/c9-7-6(3-5-1-2-5)10-4-11-8(7)12/h4-5H,1-3H2,(H,10,11,12)
InChIKeyOMARMLCEBGSOSC-UHFFFAOYSA-N
MW229.08 g/mol
LogP1.48
Rot. Bonds2

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

5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one (PubChem CID 178200441) has the molecular formula C8H9BrN2O and a molecular weight of 229.08 g/mol. Its IUPAC name is 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one
PubChem CID178200441
Molecular FormulaC8H9BrN2O
Molecular Weight229.08 g/mol
Exact Mass227.99
IUPAC Name5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(CC2CC2)c1Br
InChIInChI=1S/C8H9BrN2O/c9-7-6(3-5-1-2-5)10-4-11-8(7)12/h4-5H,1-3H2,(H,10,11,12)
InChIKeyOMARMLCEBGSOSC-UHFFFAOYSA-N
XLogP1.48
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.08
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one (CID 178200441) is 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one is O=c1[nH]cnc(CC2CC2)c1Br.
What is the InChIKey of 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one?
The InChIKey is OMARMLCEBGSOSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrN2O/c9-7-6(3-5-1-2-5)10-4-11-8(7)12/h4-5H,1-3H2,(H,10,11,12).
What are the key properties of 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one?
5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one has a molecular weight of 229.08 g/mol, XLogP of 1.48, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(cyclopropylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 178200441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).