2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

C12H10BrN3O — CID 136727288

IUPAC2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cn2)nc2c1CCC2
InChIInChI=1S/C12H10BrN3O/c13-7-4-5-10(14-6-7)11-15-9-3-1-2-8(9)12(17)16-11/h4-6H,1-3H2,(H,15,16,17)
InChIKeyBXTYZHNXBFKKLX-UHFFFAOYSA-N
MW292.14 g/mol
LogP2.08
Rot. Bonds1

About 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one

2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (PubChem CID 136727288) has the molecular formula C12H10BrN3O and a molecular weight of 292.14 g/mol. Its IUPAC name is 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
PubChem CID136727288
Molecular FormulaC12H10BrN3O
Molecular Weight292.14 g/mol
Exact Mass291.00
IUPAC Name2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
SMILESO=c1[nH]c(-c2ccc(Br)cn2)nc2c1CCC2
InChIInChI=1S/C12H10BrN3O/c13-7-4-5-10(14-6-7)11-15-9-3-1-2-8(9)12(17)16-11/h4-6H,1-3H2,(H,15,16,17)
InChIKeyBXTYZHNXBFKKLX-UHFFFAOYSA-N
XLogP2.08
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.14
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The IUPAC name of 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one (CID 136727288) is 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one.
What is the SMILES notation for 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The canonical SMILES for 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is O=c1[nH]c(-c2ccc(Br)cn2)nc2c1CCC2.
What is the InChIKey of 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
The InChIKey is BXTYZHNXBFKKLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrN3O/c13-7-4-5-10(14-6-7)11-15-9-3-1-2-8(9)12(17)16-11/h4-6H,1-3H2,(H,15,16,17).
What are the key properties of 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one?
2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one has a molecular weight of 292.14 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-2-pyridinyl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one is sourced from PubChem (CID 136727288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).