4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

C12H17N5O — CID 14856013

IUPAC4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(N2CCNCC2)nc2c1CC(=O)N2C
InChIInChI=1S/C12H17N5O/c1-8-9-7-10(18)16(2)11(9)15-12(14-8)17-5-3-13-4-6-17/h13H,3-7H2,1-2H3
InChIKeyBAIPQQCIBUQUTL-UHFFFAOYSA-N
MW247.30 g/mol
LogP-0.29
Rot. Bonds1

About 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one

4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 14856013) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID14856013
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCc1nc(N2CCNCC2)nc2c1CC(=O)N2C
InChIInChI=1S/C12H17N5O/c1-8-9-7-10(18)16(2)11(9)15-12(14-8)17-5-3-13-4-6-17/h13H,3-7H2,1-2H3
InChIKeyBAIPQQCIBUQUTL-UHFFFAOYSA-N
XLogP-0.29
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 ≤ 5-0.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The IUPAC name of 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 14856013) is 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is Cc1nc(N2CCNCC2)nc2c1CC(=O)N2C.
What is the InChIKey of 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is BAIPQQCIBUQUTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-9-7-10(18)16(2)11(9)15-12(14-8)17-5-3-13-4-6-17/h13H,3-7H2,1-2H3.
What are the key properties of 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 247.30 g/mol, XLogP of -0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one is sourced from PubChem (CID 14856013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).