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

C12H18ClN5O — CID 14856014

IUPAC4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCc1nc(N2CCNCC2)nc2c1CC(=O)N2C.Cl
InChIInChI=1S/C12H17N5O.ClH/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;1H
InChIKeyWDLHSXILRNXZAM-UHFFFAOYSA-N
MW283.76 g/mol
LogP0.14
Rot. Bonds1

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

4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 14856014) has the molecular formula C12H18ClN5O and a molecular weight of 283.76 g/mol. Its IUPAC name is 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID14856014
Molecular FormulaC12H18ClN5O
Molecular Weight283.76 g/mol
Exact Mass283.12
IUPAC Name4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCc1nc(N2CCNCC2)nc2c1CC(=O)N2C.Cl
InChIInChI=1S/C12H17N5O.ClH/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;1H
InChIKeyWDLHSXILRNXZAM-UHFFFAOYSA-N
XLogP0.14
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 50.14
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;hydrochloride?
The IUPAC name of 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 14856014) is 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is Cc1nc(N2CCNCC2)nc2c1CC(=O)N2C.Cl.
What is the InChIKey of 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is WDLHSXILRNXZAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O.ClH/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;1H.
What are the key properties of 4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
4,7-dimethyl-2-piperazin-1-yl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 283.76 g/mol, XLogP of 0.14, 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;hydrochloride is sourced from PubChem (CID 14856014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).