1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C11H15N5 — CID 11564772

IUPAC1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C11H15N5/c12-8-2-5-16(6-3-8)11-9-1-4-13-10(9)14-7-15-11/h1,4,7-8H,2-3,5-6,12H2,(H,13,14,15)
InChIKeySOYJTCRGELSHIV-UHFFFAOYSA-N
MW217.28 g/mol
LogP0.89
Rot. Bonds1

About 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 11564772) has the molecular formula C11H15N5 and a molecular weight of 217.28 g/mol. Its IUPAC name is 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID11564772
Molecular FormulaC11H15N5
Molecular Weight217.28 g/mol
Exact Mass217.13
IUPAC Name1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3[nH]ccc23)CC1
InChIInChI=1S/C11H15N5/c12-8-2-5-16(6-3-8)11-9-1-4-13-10(9)14-7-15-11/h1,4,7-8H,2-3,5-6,12H2,(H,13,14,15)
InChIKeySOYJTCRGELSHIV-UHFFFAOYSA-N
XLogP0.89
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.28
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 11564772) is 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is NC1CCN(c2ncnc3[nH]ccc23)CC1.
What is the InChIKey of 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is SOYJTCRGELSHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5/c12-8-2-5-16(6-3-8)11-9-1-4-13-10(9)14-7-15-11/h1,4,7-8H,2-3,5-6,12H2,(H,13,14,15).
What are the key properties of 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 217.28 g/mol, XLogP of 0.89, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 11564772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).