4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C11H14N4 — CID 67250742

IUPAC4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C11H14N4/c1-8-3-5-15(6-8)11-9-2-4-12-10(9)13-7-14-11/h2,4,7-8H,3,5-6H2,1H3,(H,12,13,14)
InChIKeyDMUOPQLOZOPTIC-UHFFFAOYSA-N
MW202.26 g/mol
LogP1.80
Rot. Bonds1

About 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 67250742) has the molecular formula C11H14N4 and a molecular weight of 202.26 g/mol. Its IUPAC name is 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID67250742
Molecular FormulaC11H14N4
Molecular Weight202.26 g/mol
Exact Mass202.12
IUPAC Name4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCC1CCN(c2ncnc3[nH]ccc23)C1
InChIInChI=1S/C11H14N4/c1-8-3-5-15(6-8)11-9-2-4-12-10(9)13-7-14-11/h2,4,7-8H,3,5-6H2,1H3,(H,12,13,14)
InChIKeyDMUOPQLOZOPTIC-UHFFFAOYSA-N
XLogP1.80
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.26
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 67250742) is 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CC1CCN(c2ncnc3[nH]ccc23)C1.
What is the InChIKey of 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is DMUOPQLOZOPTIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4/c1-8-3-5-15(6-8)11-9-2-4-12-10(9)13-7-14-11/h2,4,7-8H,3,5-6H2,1H3,(H,12,13,14).
What are the key properties of 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 202.26 g/mol, XLogP of 1.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methylpyrrolidin-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 67250742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).