5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one

C10H13BrN2O — CID 66308492

IUPAC5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1CCCC1
InChIInChI=1S/C10H13BrN2O/c11-9-5-12-7-13(10(9)14)6-8-3-1-2-4-8/h5,7-8H,1-4,6H2
InChIKeyJAHYXAVYMXIBTN-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.20
Rot. Bonds2

About 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one

5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one (PubChem CID 66308492) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one.

Molecular Properties

Compound Name5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one
PubChem CID66308492
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one
SMILESO=c1c(Br)cncn1CC1CCCC1
InChIInChI=1S/C10H13BrN2O/c11-9-5-12-7-13(10(9)14)6-8-3-1-2-4-8/h5,7-8H,1-4,6H2
InChIKeyJAHYXAVYMXIBTN-UHFFFAOYSA-N
XLogP2.20
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one?
The IUPAC name of 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one (CID 66308492) is 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one.
What is the SMILES notation for 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one?
The canonical SMILES for 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one is O=c1c(Br)cncn1CC1CCCC1.
What is the InChIKey of 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one?
The InChIKey is JAHYXAVYMXIBTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-5-12-7-13(10(9)14)6-8-3-1-2-4-8/h5,7-8H,1-4,6H2.
What are the key properties of 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one?
5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one has a molecular weight of 257.13 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-(cyclopentylmethyl)pyrimidin-4-one is sourced from PubChem (CID 66308492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).