5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one

C14H14BrN3O — CID 136729697

IUPAC5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(C2CCCC2)c1Br
InChIInChI=1S/C14H14BrN3O/c15-11-12(9-3-1-2-4-9)17-13(18-14(11)19)10-5-7-16-8-6-10/h5-9H,1-4H2,(H,17,18,19)
InChIKeyPTMBFEFGJOWDBX-UHFFFAOYSA-N
MW320.19 g/mol
LogP3.25
Rot. Bonds2

About 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one

5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one (PubChem CID 136729697) has the molecular formula C14H14BrN3O and a molecular weight of 320.19 g/mol. Its IUPAC name is 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
PubChem CID136729697
Molecular FormulaC14H14BrN3O
Molecular Weight320.19 g/mol
Exact Mass319.03
IUPAC Name5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one
SMILESO=c1[nH]c(-c2ccncc2)nc(C2CCCC2)c1Br
InChIInChI=1S/C14H14BrN3O/c15-11-12(9-3-1-2-4-9)17-13(18-14(11)19)10-5-7-16-8-6-10/h5-9H,1-4H2,(H,17,18,19)
InChIKeyPTMBFEFGJOWDBX-UHFFFAOYSA-N
XLogP3.25
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.19
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one (CID 136729697) is 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one is O=c1[nH]c(-c2ccncc2)nc(C2CCCC2)c1Br.
What is the InChIKey of 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
The InChIKey is PTMBFEFGJOWDBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14BrN3O/c15-11-12(9-3-1-2-4-9)17-13(18-14(11)19)10-5-7-16-8-6-10/h5-9H,1-4H2,(H,17,18,19).
What are the key properties of 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one?
5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one has a molecular weight of 320.19 g/mol, XLogP of 3.25, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-cyclopentyl-2-pyridin-4-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136729697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).