2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

C10H13N5O — CID 14856046

IUPAC2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(N3CCNCC3)nc2N1
InChIInChI=1S/C10H13N5O/c16-8-5-7-6-12-10(14-9(7)13-8)15-3-1-11-2-4-15/h6,11H,1-5H2,(H,12,13,14,16)
InChIKeyXXEWQLQWEJIYQP-UHFFFAOYSA-N
MW219.25 g/mol
LogP-0.62
Rot. Bonds1

About 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one

2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 14856046) has the molecular formula C10H13N5O and a molecular weight of 219.25 g/mol. Its IUPAC name is 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID14856046
Molecular FormulaC10H13N5O
Molecular Weight219.25 g/mol
Exact Mass219.11
IUPAC Name2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESO=C1Cc2cnc(N3CCNCC3)nc2N1
InChIInChI=1S/C10H13N5O/c16-8-5-7-6-12-10(14-9(7)13-8)15-3-1-11-2-4-15/h6,11H,1-5H2,(H,12,13,14,16)
InChIKeyXXEWQLQWEJIYQP-UHFFFAOYSA-N
XLogP-0.62
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.25
LogP ≤ 5-0.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 14856046) is 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is O=C1Cc2cnc(N3CCNCC3)nc2N1.
What is the InChIKey of 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is XXEWQLQWEJIYQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O/c16-8-5-7-6-12-10(14-9(7)13-8)15-3-1-11-2-4-15/h6,11H,1-5H2,(H,12,13,14,16).
What are the key properties of 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 219.25 g/mol, XLogP of -0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 14856046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).