4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile

C11H13N5 — CID 171495097

IUPAC4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCNCC23CC3)n1
InChIInChI=1S/C11H13N5/c12-7-9-14-4-1-10(15-9)16-6-5-13-8-11(16)2-3-11/h1,4,13H,2-3,5-6,8H2
InChIKeyJYMKJAAOPWOOOX-UHFFFAOYSA-N
MW215.26 g/mol
LogP0.29
Rot. Bonds1

About 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile

4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile (PubChem CID 171495097) has the molecular formula C11H13N5 and a molecular weight of 215.26 g/mol. Its IUPAC name is 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile.

Molecular Properties

Compound Name4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile
PubChem CID171495097
Molecular FormulaC11H13N5
Molecular Weight215.26 g/mol
Exact Mass215.12
IUPAC Name4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile
SMILESN#Cc1nccc(N2CCNCC23CC3)n1
InChIInChI=1S/C11H13N5/c12-7-9-14-4-1-10(15-9)16-6-5-13-8-11(16)2-3-11/h1,4,13H,2-3,5-6,8H2
InChIKeyJYMKJAAOPWOOOX-UHFFFAOYSA-N
XLogP0.29
TPSA64.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.26
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile?
The IUPAC name of 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile (CID 171495097) is 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile.
What is the SMILES notation for 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile?
The canonical SMILES for 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile is N#Cc1nccc(N2CCNCC23CC3)n1.
What is the InChIKey of 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile?
The InChIKey is JYMKJAAOPWOOOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5/c12-7-9-14-4-1-10(15-9)16-6-5-13-8-11(16)2-3-11/h1,4,13H,2-3,5-6,8H2.
What are the key properties of 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile?
4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile has a molecular weight of 215.26 g/mol, XLogP of 0.29, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,7-diazaspiro[2.5]octan-4-yl)pyrimidine-2-carbonitrile is sourced from PubChem (CID 171495097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).