6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one

C12H12BrN3O — CID 141132964

IUPAC6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Br)cc2cncnc2n1C1CCCC1
InChIInChI=1S/C12H12BrN3O/c13-10-5-8-6-14-7-15-11(8)16(12(10)17)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeySOKRYZAYGLWOTG-UHFFFAOYSA-N
MW294.15 g/mol
LogP2.67
Rot. Bonds1

About 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one

6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (PubChem CID 141132964) has the molecular formula C12H12BrN3O and a molecular weight of 294.15 g/mol. Its IUPAC name is 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
PubChem CID141132964
Molecular FormulaC12H12BrN3O
Molecular Weight294.15 g/mol
Exact Mass293.02
IUPAC Name6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
SMILESO=c1c(Br)cc2cncnc2n1C1CCCC1
InChIInChI=1S/C12H12BrN3O/c13-10-5-8-6-14-7-15-11(8)16(12(10)17)9-3-1-2-4-9/h5-7,9H,1-4H2
InChIKeySOKRYZAYGLWOTG-UHFFFAOYSA-N
XLogP2.67
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.15
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one (CID 141132964) is 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is O=c1c(Br)cc2cncnc2n1C1CCCC1.
What is the InChIKey of 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
The InChIKey is SOKRYZAYGLWOTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3O/c13-10-5-8-6-14-7-15-11(8)16(12(10)17)9-3-1-2-4-9/h5-7,9H,1-4H2.
What are the key properties of 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one?
6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one has a molecular weight of 294.15 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 141132964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).