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

C13H19N5O — CID 3078675

IUPAC2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C13H19N5O/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
InChIKeyGFRLOVGUUZAEPB-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.14
Rot. Bonds2

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

2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (PubChem CID 3078675) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
PubChem CID3078675
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one
SMILESCCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1
InChIInChI=1S/C13H19N5O/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
InChIKeyGFRLOVGUUZAEPB-UHFFFAOYSA-N
XLogP0.14
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.14
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?
The IUPAC name of 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one (CID 3078675) is 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one.
What is the SMILES notation for 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The canonical SMILES for 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one is CCN1CCN(c2ncc3c(n2)N(C)C(=O)C3)CC1.
What is the InChIKey of 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
The InChIKey is GFRLOVGUUZAEPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/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.
What are the key properties of 2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one?
2-(4-ethylpiperazin-1-yl)-7-methyl-5H-pyrrolo[2,3-d]pyrimidin-6-one has a molecular weight of 261.33 g/mol, XLogP of 0.14, 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 is sourced from PubChem (CID 3078675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).