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

C10H15Cl2N5O — CID 67538771

IUPAC4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.O=C1Cc2c(ncnc2N2CCNCC2)N1
InChIInChI=1S/C10H13N5O.2ClH/c16-8-5-7-9(14-8)12-6-13-10(7)15-3-1-11-2-4-15;;/h6,11H,1-5H2,(H,12,13,14,16);2*1H
InChIKeyRHGWNSSGRCBEDD-UHFFFAOYSA-N
MW292.17 g/mol
LogP0.22
Rot. Bonds1

About 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride

4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride (PubChem CID 67538771) has the molecular formula C10H15Cl2N5O and a molecular weight of 292.17 g/mol. Its IUPAC name is 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride.

Molecular Properties

Compound Name4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride
PubChem CID67538771
Molecular FormulaC10H15Cl2N5O
Molecular Weight292.17 g/mol
Exact Mass291.07
IUPAC Name4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride
SMILESCl.Cl.O=C1Cc2c(ncnc2N2CCNCC2)N1
InChIInChI=1S/C10H13N5O.2ClH/c16-8-5-7-9(14-8)12-6-13-10(7)15-3-1-11-2-4-15;;/h6,11H,1-5H2,(H,12,13,14,16);2*1H
InChIKeyRHGWNSSGRCBEDD-UHFFFAOYSA-N
XLogP0.22
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.17
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride?
The IUPAC name of 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride (CID 67538771) is 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride.
What is the SMILES notation for 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride?
The canonical SMILES for 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride is Cl.Cl.O=C1Cc2c(ncnc2N2CCNCC2)N1.
What is the InChIKey of 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride?
The InChIKey is RHGWNSSGRCBEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O.2ClH/c16-8-5-7-9(14-8)12-6-13-10(7)15-3-1-11-2-4-15;;/h6,11H,1-5H2,(H,12,13,14,16);2*1H.
What are the key properties of 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride?
4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride has a molecular weight of 292.17 g/mol, XLogP of 0.22, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperazin-1-yl-5,7-dihydropyrrolo[2,3-d]pyrimidin-6-one;dihydrochloride is sourced from PubChem (CID 67538771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).