5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

C15H18N6O2 — CID 136513090

IUPAC5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(c3ncnc4[nH]ccc34)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H18N6O2/c1-15(13(22)19-14(23)20-15)9-3-6-21(7-4-9)12-10-2-5-16-11(10)17-8-18-12/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17,18)(H2,19,20,22,23)
InChIKeyQELOHSHPLSAISF-UHFFFAOYSA-N
MW314.35 g/mol
LogP0.77
Rot. Bonds2

About 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione

5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (PubChem CID 136513090) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
PubChem CID136513090
Molecular FormulaC15H18N6O2
Molecular Weight314.35 g/mol
Exact Mass314.15
IUPAC Name5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione
SMILESCC1(C2CCN(c3ncnc4[nH]ccc34)CC2)NC(=O)NC1=O
InChIInChI=1S/C15H18N6O2/c1-15(13(22)19-14(23)20-15)9-3-6-21(7-4-9)12-10-2-5-16-11(10)17-8-18-12/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17,18)(H2,19,20,22,23)
InChIKeyQELOHSHPLSAISF-UHFFFAOYSA-N
XLogP0.77
TPSA103.01 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 50.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione (CID 136513090) is 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is CC1(C2CCN(c3ncnc4[nH]ccc34)CC2)NC(=O)NC1=O.
What is the InChIKey of 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
The InChIKey is QELOHSHPLSAISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-15(13(22)19-14(23)20-15)9-3-6-21(7-4-9)12-10-2-5-16-11(10)17-8-18-12/h2,5,8-9H,3-4,6-7H2,1H3,(H,16,17,18)(H2,19,20,22,23).
What are the key properties of 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione?
5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione has a molecular weight of 314.35 g/mol, XLogP of 0.77, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-[1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-yl]imidazolidine-2,4-dione is sourced from PubChem (CID 136513090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).