ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone

C15H22N4O — CID 144654976

IUPACethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
SMILESCC.Cc1ncc2ccn(CC(=O)N3CCCC3)c2n1
InChIInChI=1S/C13H16N4O.C2H6/c1-10-14-8-11-4-7-17(13(11)15-10)9-12(18)16-5-2-3-6-16;1-2/h4,7-8H,2-3,5-6,9H2,1H3;1-2H3
InChIKeyXTVKGRZTPOVQRI-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.39
Rot. Bonds2

About ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone

ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone (PubChem CID 144654976) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Nameethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
PubChem CID144654976
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Nameethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone
SMILESCC.Cc1ncc2ccn(CC(=O)N3CCCC3)c2n1
InChIInChI=1S/C13H16N4O.C2H6/c1-10-14-8-11-4-7-17(13(11)15-10)9-12(18)16-5-2-3-6-16;1-2/h4,7-8H,2-3,5-6,9H2,1H3;1-2H3
InChIKeyXTVKGRZTPOVQRI-UHFFFAOYSA-N
XLogP2.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
The IUPAC name of ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone (CID 144654976) is ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone is CC.Cc1ncc2ccn(CC(=O)N3CCCC3)c2n1.
What is the InChIKey of ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
The InChIKey is XTVKGRZTPOVQRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O.C2H6/c1-10-14-8-11-4-7-17(13(11)15-10)9-12(18)16-5-2-3-6-16;1-2/h4,7-8H,2-3,5-6,9H2,1H3;1-2H3.
What are the key properties of ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone?
ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone has a molecular weight of 274.37 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-(2-methylpyrrolo[2,3-d]pyrimidin-7-yl)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 144654976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).