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

C11H15N5O — CID 24988080

IUPAC5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2nc(N3CCNCC3)ncc21
InChIInChI=1S/C11H15N5O/c1-7-8-6-13-11(15-9(8)14-10(7)17)16-4-2-12-3-5-16/h6-7,12H,2-5H2,1H3,(H,13,14,15,17)
InChIKeyXPEGKJWWTMNMGR-UHFFFAOYSA-N
MW233.27 g/mol
LogP-0.06
Rot. Bonds1

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

5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 24988080) has the molecular formula C11H15N5O and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
PubChem CID24988080
Molecular FormulaC11H15N5O
Molecular Weight233.27 g/mol
Exact Mass233.13
IUPAC Name5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)Nc2nc(N3CCNCC3)ncc21
InChIInChI=1S/C11H15N5O/c1-7-8-6-13-11(15-9(8)14-10(7)17)16-4-2-12-3-5-16/h6-7,12H,2-5H2,1H3,(H,13,14,15,17)
InChIKeyXPEGKJWWTMNMGR-UHFFFAOYSA-N
XLogP-0.06
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 5-0.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one (CID 24988080) is 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is CC1C(=O)Nc2nc(N3CCNCC3)ncc21.
What is the InChIKey of 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is XPEGKJWWTMNMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O/c1-7-8-6-13-11(15-9(8)14-10(7)17)16-4-2-12-3-5-16/h6-7,12H,2-5H2,1H3,(H,13,14,15,17).
What are the key properties of 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one?
5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 233.27 g/mol, XLogP of -0.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 24988080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).