4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

C16H18N8 — CID 141290906

IUPAC4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCN(c3cnccn3)C3(CC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C16H18N8/c17-15-21-13-11(1-4-20-13)14(22-15)23-7-8-24(16(10-23)2-3-16)12-9-18-5-6-19-12/h1,4-6,9H,2-3,7-8,10H2,(H3,17,20,21,22)
InChIKeyNLLGLWZXAFHTQT-UHFFFAOYSA-N
MW322.38 g/mol
LogP1.19
Rot. Bonds2

About 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine

4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (PubChem CID 141290906) has the molecular formula C16H18N8 and a molecular weight of 322.38 g/mol. Its IUPAC name is 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
PubChem CID141290906
Molecular FormulaC16H18N8
Molecular Weight322.38 g/mol
Exact Mass322.17
IUPAC Name4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine
SMILESNc1nc(N2CCN(c3cnccn3)C3(CC3)C2)c2cc[nH]c2n1
InChIInChI=1S/C16H18N8/c17-15-21-13-11(1-4-20-13)14(22-15)23-7-8-24(16(10-23)2-3-16)12-9-18-5-6-19-12/h1,4-6,9H,2-3,7-8,10H2,(H3,17,20,21,22)
InChIKeyNLLGLWZXAFHTQT-UHFFFAOYSA-N
XLogP1.19
TPSA99.85 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.38
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine (CID 141290906) is 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is Nc1nc(N2CCN(c3cnccn3)C3(CC3)C2)c2cc[nH]c2n1.
What is the InChIKey of 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
The InChIKey is NLLGLWZXAFHTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N8/c17-15-21-13-11(1-4-20-13)14(22-15)23-7-8-24(16(10-23)2-3-16)12-9-18-5-6-19-12/h1,4-6,9H,2-3,7-8,10H2,(H3,17,20,21,22).
What are the key properties of 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine?
4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine has a molecular weight of 322.38 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-pyrazin-2-yl-4,7-diazaspiro[2.5]octan-7-yl)-7H-pyrrolo[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 141290906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).