1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

C11H14ClN5 — CID 137408213

IUPAC1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3[nH]cc(Cl)c23)CC1
InChIInChI=1S/C11H14ClN5/c12-8-5-14-10-9(8)11(16-6-15-10)17-3-1-7(13)2-4-17/h5-7H,1-4,13H2,(H,14,15,16)
InChIKeyJQPRSNAEHWXJKX-UHFFFAOYSA-N
MW251.72 g/mol
LogP1.54
Rot. Bonds1

About 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine

1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (PubChem CID 137408213) has the molecular formula C11H14ClN5 and a molecular weight of 251.72 g/mol. Its IUPAC name is 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
PubChem CID137408213
Molecular FormulaC11H14ClN5
Molecular Weight251.72 g/mol
Exact Mass251.09
IUPAC Name1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine
SMILESNC1CCN(c2ncnc3[nH]cc(Cl)c23)CC1
InChIInChI=1S/C11H14ClN5/c12-8-5-14-10-9(8)11(16-6-15-10)17-3-1-7(13)2-4-17/h5-7H,1-4,13H2,(H,14,15,16)
InChIKeyJQPRSNAEHWXJKX-UHFFFAOYSA-N
XLogP1.54
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.72
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine (CID 137408213) is 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is NC1CCN(c2ncnc3[nH]cc(Cl)c23)CC1.
What is the InChIKey of 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
The InChIKey is JQPRSNAEHWXJKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5/c12-8-5-14-10-9(8)11(16-6-15-10)17-3-1-7(13)2-4-17/h5-7H,1-4,13H2,(H,14,15,16).
What are the key properties of 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine?
1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine has a molecular weight of 251.72 g/mol, XLogP of 1.54, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 137408213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).