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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Related Compounds

4-(azetidin-1-yl)pyrimidine-2-carbonitrile
CID 126984085
4-piperidin-1-ylpyrimidine-2-carbonitrile
CID 130587546
4-(3,6-dihydro-2H-pyridin-1-yl)pyrimidine-2-carbonitrile
CID 130587758
1-pyrimidin-2-yl-1,7-diazaspiro[3.4]octane
CID 131638198
2-(1,4-diazaspiro[5.5]undecan-1-yl)-3-methylbenzonitrile
CID 107111426
4-(2,2-dimethylpiperazin-1-yl)-2-(4-methylpiperazin-1-yl)pyrimidine
CID 22328862
1-(6-methoxypyrimidin-4-yl)-1,4-diazaspiro[5.5]undecane
CID 66318528
3-(1,4-diazaspiro[5.5]undecan-1-yl)-5-fluorobenzonitrile
CID 102819076
6-(2,2-dimethylpiperazin-1-yl)pyridine-3-carbonitrile;hydrochloride
CID 67324559
1-pyrazin-2-yl-1,7-diazaspiro[4.4]nonane
CID 10013163
4-[[(3R)-pyrrolidin-3-yl]amino]pyrimidine-2-carbonitrile
CID 152510354
4-(5,6-dimethoxy-1,3-dihydroisoindol-2-yl)pyrimidine-2-carbonitrile
CID 59569258

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).