4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

C12H15N5 — CID 141448679

IUPAC4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(N2CC3(CCCN3)C2)c2cc[nH]c2n1
InChIInChI=1S/C12H15N5/c1-3-12(16-4-1)6-17(7-12)11-9-2-5-13-10(9)14-8-15-11/h2,5,8,16H,1,3-4,6-7H2,(H,13,14,15)
InChIKeyJFNIWMMKGXYIJP-UHFFFAOYSA-N
MW229.29 g/mol
LogP0.90
Rot. Bonds1

About 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 141448679) has the molecular formula C12H15N5 and a molecular weight of 229.29 g/mol. Its IUPAC name is 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID141448679
Molecular FormulaC12H15N5
Molecular Weight229.29 g/mol
Exact Mass229.13
IUPAC Name4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESc1nc(N2CC3(CCCN3)C2)c2cc[nH]c2n1
InChIInChI=1S/C12H15N5/c1-3-12(16-4-1)6-17(7-12)11-9-2-5-13-10(9)14-8-15-11/h2,5,8,16H,1,3-4,6-7H2,(H,13,14,15)
InChIKeyJFNIWMMKGXYIJP-UHFFFAOYSA-N
XLogP0.90
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.29
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 141448679) is 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine is c1nc(N2CC3(CCCN3)C2)c2cc[nH]c2n1.
What is the InChIKey of 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is JFNIWMMKGXYIJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5/c1-3-12(16-4-1)6-17(7-12)11-9-2-5-13-10(9)14-8-15-11/h2,5,8,16H,1,3-4,6-7H2,(H,13,14,15).
What are the key properties of 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 229.29 g/mol, XLogP of 0.90, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-diazaspiro[3.4]octan-2-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 141448679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).