(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane

C14H19N5 — CID 129267667

IUPAC(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
SMILESc1nc(N2CC[C@@]3(CCCCN3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H19N5/c1-2-6-18-14(4-1)5-8-19(9-14)13-11-3-7-15-12(11)16-10-17-13/h3,7,10,18H,1-2,4-6,8-9H2,(H,15,16,17)/t14-/m0/s1
InChIKeyKOGFDZJVQQREQA-AWEZNQCLSA-N
MW257.34 g/mol
LogP1.68
Rot. Bonds1

About (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane

(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane (PubChem CID 129267667) has the molecular formula C14H19N5 and a molecular weight of 257.34 g/mol. Its IUPAC name is (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane.

Molecular Properties

Compound Name(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
PubChem CID129267667
Molecular FormulaC14H19N5
Molecular Weight257.34 g/mol
Exact Mass257.16
IUPAC Name(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane
SMILESc1nc(N2CC[C@@]3(CCCCN3)C2)c2cc[nH]c2n1
InChIInChI=1S/C14H19N5/c1-2-6-18-14(4-1)5-8-19(9-14)13-11-3-7-15-12(11)16-10-17-13/h3,7,10,18H,1-2,4-6,8-9H2,(H,15,16,17)/t14-/m0/s1
InChIKeyKOGFDZJVQQREQA-AWEZNQCLSA-N
XLogP1.68
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane?
The IUPAC name of (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane (CID 129267667) is (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane.
What is the SMILES notation for (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane?
The canonical SMILES for (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane is c1nc(N2CC[C@@]3(CCCCN3)C2)c2cc[nH]c2n1.
What is the InChIKey of (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane?
The InChIKey is KOGFDZJVQQREQA-AWEZNQCLSA-N. The full InChI is InChI=1S/C14H19N5/c1-2-6-18-14(4-1)5-8-19(9-14)13-11-3-7-15-12(11)16-10-17-13/h3,7,10,18H,1-2,4-6,8-9H2,(H,15,16,17)/t14-/m0/s1.
What are the key properties of (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane?
(5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane has a molecular weight of 257.34 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-2,6-diazaspiro[4.5]decane is sourced from PubChem (CID 129267667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).