5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine

C10H12N4 — CID 82655819

IUPAC5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ncc2c(C3CCNC3)c[nH]c2n1
InChIInChI=1S/C10H12N4/c1-2-11-3-7(1)8-5-13-10-9(8)4-12-6-14-10/h4-7,11H,1-3H2,(H,12,13,14)
InChIKeyFAZILDHXBBPXBS-UHFFFAOYSA-N
MW188.23 g/mol
LogP1.03
Rot. Bonds1

About 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine

5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 82655819) has the molecular formula C10H12N4 and a molecular weight of 188.23 g/mol. Its IUPAC name is 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID82655819
Molecular FormulaC10H12N4
Molecular Weight188.23 g/mol
Exact Mass188.11
IUPAC Name5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1ncc2c(C3CCNC3)c[nH]c2n1
InChIInChI=1S/C10H12N4/c1-2-11-3-7(1)8-5-13-10-9(8)4-12-6-14-10/h4-7,11H,1-3H2,(H,12,13,14)
InChIKeyFAZILDHXBBPXBS-UHFFFAOYSA-N
XLogP1.03
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine (CID 82655819) is 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine is c1ncc2c(C3CCNC3)c[nH]c2n1.
What is the InChIKey of 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is FAZILDHXBBPXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4/c1-2-11-3-7(1)8-5-13-10-9(8)4-12-6-14-10/h4-7,11H,1-3H2,(H,12,13,14).
What are the key properties of 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine?
5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 188.23 g/mol, XLogP of 1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-pyrrolidin-3-yl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 82655819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).