5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C12H17N5O — CID 14856010

IUPAC5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)N(C)c2nc(N3CCNCC3)ncc21
InChIInChI=1S/C12H17N5O/c1-8-9-7-14-12(17-5-3-13-4-6-17)15-10(9)16(2)11(8)18/h7-8,13H,3-6H2,1-2H3
InChIKeyDUGYYRIYDZQYQB-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.03
Rot. Bonds1

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

5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 14856010) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID14856010
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCC1C(=O)N(C)c2nc(N3CCNCC3)ncc21
InChIInChI=1S/C12H17N5O/c1-8-9-7-14-12(17-5-3-13-4-6-17)15-10(9)16(2)11(8)18/h7-8,13H,3-6H2,1-2H3
InChIKeyDUGYYRIYDZQYQB-UHFFFAOYSA-N
XLogP-0.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 14856010) is 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CC1C(=O)N(C)c2nc(N3CCNCC3)ncc21.
What is the InChIKey of 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is DUGYYRIYDZQYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-9-7-14-12(17-5-3-13-4-6-17)15-10(9)16(2)11(8)18/h7-8,13H,3-6H2,1-2H3.
What are the key properties of 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 247.30 g/mol, XLogP of -0.03, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 14856010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).