2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane

C14H22N4 — CID 102850690

IUPAC2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
SMILESCc1nccc(N2CCCC3(CCCNC3)C2)n1
InChIInChI=1S/C14H22N4/c1-12-16-8-4-13(17-12)18-9-3-6-14(11-18)5-2-7-15-10-14/h4,8,15H,2-3,5-7,9-11H2,1H3
InChIKeyOVVAYJZXECOXJS-UHFFFAOYSA-N
MW246.36 g/mol
LogP1.76
Rot. Bonds1

About 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane

2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane (PubChem CID 102850690) has the molecular formula C14H22N4 and a molecular weight of 246.36 g/mol. Its IUPAC name is 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
PubChem CID102850690
Molecular FormulaC14H22N4
Molecular Weight246.36 g/mol
Exact Mass246.18
IUPAC Name2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane
SMILESCc1nccc(N2CCCC3(CCCNC3)C2)n1
InChIInChI=1S/C14H22N4/c1-12-16-8-4-13(17-12)18-9-3-6-14(11-18)5-2-7-15-10-14/h4,8,15H,2-3,5-7,9-11H2,1H3
InChIKeyOVVAYJZXECOXJS-UHFFFAOYSA-N
XLogP1.76
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.36
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-pyrimidin-4-yl-2,8-diazaspiro[5.5]undecane
CID 102850610
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078
2-(4-methyl-3-nitro-2-pyridinyl)-2,8-diazaspiro[5.5]undecane
CID 102850615
2-(2,8-diazaspiro[5.5]undecan-2-yl)-4,5-dimethyl-1,3-thiazole
CID 102850533
1-(2-methylpyrimidin-4-yl)azepane
CID 126972484
ethane;2-methyl-4-piperazin-1-ylpyrimidine
CID 144746590
2-(2-methyl-4-pyridinyl)-2,8-diazaspiro[3.5]nonane
CID 152657407
2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 56750395
(5S)-2-pyrazin-2-yl-2,9-diazaspiro[4.5]decane
CID 95203740
methanamine;2-methyl-4-pyrrolidin-1-ylpyrimidine
CID 143912521
(5S)-2-(4-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonane
CID 170131044
5-(2-fluoropyrimidin-4-yl)-5-azaspiro[2.5]octane
CID 164658112

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane?
The IUPAC name of 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane (CID 102850690) is 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane?
The canonical SMILES for 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane is Cc1nccc(N2CCCC3(CCCNC3)C2)n1.
What is the InChIKey of 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane?
The InChIKey is OVVAYJZXECOXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4/c1-12-16-8-4-13(17-12)18-9-3-6-14(11-18)5-2-7-15-10-14/h4,8,15H,2-3,5-7,9-11H2,1H3.
What are the key properties of 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane?
2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane has a molecular weight of 246.36 g/mol, XLogP of 1.76, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 102850690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).