7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone

C14H18N4O — CID 136559584

IUPAC7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)(C)N1C(=O)c1c[nH]c2ncncc12
InChIInChI=1S/C14H18N4O/c1-9-4-5-14(2,3)18(9)13(19)11-7-16-12-10(11)6-15-8-17-12/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyWXCHZLGPXJDHMH-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.36
Rot. Bonds1

About 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone

7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone (PubChem CID 136559584) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone
PubChem CID136559584
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone
SMILESCC1CCC(C)(C)N1C(=O)c1c[nH]c2ncncc12
InChIInChI=1S/C14H18N4O/c1-9-4-5-14(2,3)18(9)13(19)11-7-16-12-10(11)6-15-8-17-12/h6-9H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyWXCHZLGPXJDHMH-UHFFFAOYSA-N
XLogP2.36
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
The IUPAC name of 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone (CID 136559584) is 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone.
What is the SMILES notation for 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
The canonical SMILES for 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone is CC1CCC(C)(C)N1C(=O)c1c[nH]c2ncncc12.
What is the InChIKey of 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
The InChIKey is WXCHZLGPXJDHMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4O/c1-9-4-5-14(2,3)18(9)13(19)11-7-16-12-10(11)6-15-8-17-12/h6-9H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone?
7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone has a molecular weight of 258.32 g/mol, XLogP of 2.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7H-pyrrolo[2,3-d]pyrimidin-5-yl-(2,2,5-trimethylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 136559584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).