2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

C13H20ClN5O — CID 3078674

IUPAC2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-3-17-4-6-18(7-5-17)13-14-9-10-8-11(19)16(2)12(10)15-13;/h9H,3-8H2,1-2H3;1H
InChIKeyZGFIUGXEXHFYPZ-UHFFFAOYSA-N
MW297.79 g/mol
LogP0.56
Rot. Bonds2

About 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride

2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (PubChem CID 3078674) has the molecular formula C13H20ClN5O and a molecular weight of 297.79 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
PubChem CID3078674
Molecular FormulaC13H20ClN5O
Molecular Weight297.79 g/mol
Exact Mass297.14
IUPAC Name2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride
SMILESCCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl
InChIInChI=1S/C13H19N5O.ClH/c1-3-17-4-6-18(7-5-17)13-14-9-10-8-11(19)16(2)12(10)15-13;/h9H,3-8H2,1-2H3;1H
InChIKeyZGFIUGXEXHFYPZ-UHFFFAOYSA-N
XLogP0.56
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.79
LogP ≤ 50.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride (CID 3078674) is 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is CCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.Cl.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
The InChIKey is ZGFIUGXEXHFYPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O.ClH/c1-3-17-4-6-18(7-5-17)13-14-9-10-8-11(19)16(2)12(10)15-13;/h9H,3-8H2,1-2H3;1H.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride?
2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride has a molecular weight of 297.79 g/mol, XLogP of 0.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one;hydrochloride is sourced from PubChem (CID 3078674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).