2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

C11H13BrN4O — CID 135408950

IUPAC2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Br)nc2c(N3CCCCC3)c[nH]c12
InChIInChI=1S/C11H13BrN4O/c12-11-14-8-7(16-4-2-1-3-5-16)6-13-9(8)10(17)15-11/h6,13H,1-5H2,(H,14,15,17)
InChIKeyRKIGKVJUUBVEBE-UHFFFAOYSA-N
MW297.16 g/mol
LogP2.00
Rot. Bonds1

About 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one

2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (PubChem CID 135408950) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
PubChem CID135408950
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC Name2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one
SMILESO=c1[nH]c(Br)nc2c(N3CCCCC3)c[nH]c12
InChIInChI=1S/C11H13BrN4O/c12-11-14-8-7(16-4-2-1-3-5-16)6-13-9(8)10(17)15-11/h6,13H,1-5H2,(H,14,15,17)
InChIKeyRKIGKVJUUBVEBE-UHFFFAOYSA-N
XLogP2.00
TPSA64.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The IUPAC name of 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one (CID 135408950) is 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The canonical SMILES for 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is O=c1[nH]c(Br)nc2c(N3CCCCC3)c[nH]c12.
What is the InChIKey of 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
The InChIKey is RKIGKVJUUBVEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c12-11-14-8-7(16-4-2-1-3-5-16)6-13-9(8)10(17)15-11/h6,13H,1-5H2,(H,14,15,17).
What are the key properties of 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one?
2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one has a molecular weight of 297.16 g/mol, XLogP of 2.00, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-7-piperidin-1-yl-3,5-dihydropyrrolo[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 135408950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).