2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane

C14H23ClN4 — CID 144878185

IUPAC2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.Clc1ncc(CN2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C12H17ClN4.C2H6/c13-11-15-5-10(6-16-11)7-17-8-12(9-17)1-3-14-4-2-12;1-2/h5-6,14H,1-4,7-9H2;1-2H3
InChIKeyLBFNEEGPUKCVBB-UHFFFAOYSA-N
MW282.82 g/mol
LogP2.34
Rot. Bonds2

About 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane

2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane (PubChem CID 144878185) has the molecular formula C14H23ClN4 and a molecular weight of 282.82 g/mol. Its IUPAC name is 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane.

Molecular Properties

Compound Name2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane
PubChem CID144878185
Molecular FormulaC14H23ClN4
Molecular Weight282.82 g/mol
Exact Mass282.16
IUPAC Name2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane
SMILESCC.Clc1ncc(CN2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C12H17ClN4.C2H6/c13-11-15-5-10(6-16-11)7-17-8-12(9-17)1-3-14-4-2-12;1-2/h5-6,14H,1-4,7-9H2;1-2H3
InChIKeyLBFNEEGPUKCVBB-UHFFFAOYSA-N
XLogP2.34
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.82
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pyrimidin-2-yl-2,7-diazaspiro[3.5]nonane
CID 3233309
3-(Pyrimidin-2-yl)-3,9-diazaspiro[5.5]undecane
CID 3234323
4-(2,7-Diazaspiro[3.5]nonan-7-yl)pyrimidin-2-amine
CID 49857014
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
5-methyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72928341
2-Methyl-8-(5-methylpyrimidin-2-YL)-2,8-diazaspiro[5.5]undecane
CID 72936007
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372
N-methyl-5-[[methyl-(1-propan-2-ylpiperidin-4-yl)amino]methyl]pyrimidin-2-amine
CID 95857554
5-Methyl-2-(piperazin-1-yl)pyrimidine dihydrochloride
CID 86276657
5-Methyl-2-(piperidin-4-yl)pyrimidine dihydrochloride
CID 165986136
[3-Methyl-1-(5-methylpyrimidin-2-yl)piperidin-2-yl]methanamine
CID 64021747

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane?
The IUPAC name of 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane (CID 144878185) is 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane.
What is the SMILES notation for 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane?
The canonical SMILES for 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane is CC.Clc1ncc(CN2CC3(CCNCC3)C2)cn1.
What is the InChIKey of 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane?
The InChIKey is LBFNEEGPUKCVBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN4.C2H6/c13-11-15-5-10(6-16-11)7-17-8-12(9-17)1-3-14-4-2-12;1-2/h5-6,14H,1-4,7-9H2;1-2H3.
What are the key properties of 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane?
2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane has a molecular weight of 282.82 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane;ethane is sourced from PubChem (CID 144878185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).