2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane

C14H18ClN5 — CID 46837624

IUPAC2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane
SMILESClc1c[nH]c2ncnc(N3CCC4(CCNCC4)C3)c12
InChIInChI=1S/C14H18ClN5/c15-10-7-17-12-11(10)13(19-9-18-12)20-6-3-14(8-20)1-4-16-5-2-14/h7,9,16H,1-6,8H2,(H,17,18,19)
InChIKeyUFQMVEIAGMGCOD-UHFFFAOYSA-N
MW291.79 g/mol
LogP2.19
Rot. Bonds1

About 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane

2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane (PubChem CID 46837624) has the molecular formula C14H18ClN5 and a molecular weight of 291.79 g/mol. Its IUPAC name is 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane
PubChem CID46837624
Molecular FormulaC14H18ClN5
Molecular Weight291.79 g/mol
Exact Mass291.13
IUPAC Name2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane
SMILESClc1c[nH]c2ncnc(N3CCC4(CCNCC4)C3)c12
InChIInChI=1S/C14H18ClN5/c15-10-7-17-12-11(10)13(19-9-18-12)20-6-3-14(8-20)1-4-16-5-2-14/h7,9,16H,1-6,8H2,(H,17,18,19)
InChIKeyUFQMVEIAGMGCOD-UHFFFAOYSA-N
XLogP2.19
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.79
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane (CID 46837624) is 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane is Clc1c[nH]c2ncnc(N3CCC4(CCNCC4)C3)c12.
What is the InChIKey of 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane?
The InChIKey is UFQMVEIAGMGCOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN5/c15-10-7-17-12-11(10)13(19-9-18-12)20-6-3-14(8-20)1-4-16-5-2-14/h7,9,16H,1-6,8H2,(H,17,18,19).
What are the key properties of 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane?
2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane has a molecular weight of 291.79 g/mol, XLogP of 2.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 46837624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).