2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane

C13H20N4 — CID 144878210

IUPAC2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCc1ncc(CN2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C13H20N4/c1-11-15-6-12(7-16-11)8-17-9-13(10-17)2-4-14-5-3-13/h6-7,14H,2-5,8-10H2,1H3
InChIKeyUJBPHRBTCWOSSO-UHFFFAOYSA-N
MW232.33 g/mol
LogP0.97
Rot. Bonds2

About 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane

2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane (PubChem CID 144878210) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane.

Molecular Properties

Compound Name2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane
PubChem CID144878210
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane
SMILESCc1ncc(CN2CC3(CCNCC3)C2)cn1
InChIInChI=1S/C13H20N4/c1-11-15-6-12(7-16-11)8-17-9-13(10-17)2-4-14-5-3-13/h6-7,14H,2-5,8-10H2,1H3
InChIKeyUJBPHRBTCWOSSO-UHFFFAOYSA-N
XLogP0.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
2-(Azetidin-3-yl)-5-methylpyrimidine dihydrochloride
CID 67143870
7-(Cyclobutylmethyl)-2-[(2-methyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45193840
7-(Cyclobutylmethyl)-2-[(2-ethyl-5-pyrimidinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 45252850
N-[(2-ethylpyrimidin-5-yl)methyl]-N-methyl-1-propan-2-ylpiperidin-4-amine
CID 51594519
5-(2,8-diazaspiro[4.5]dec-2-ylmethyl)-N,N-dimethylpyrimidin-2-amine
CID 56712809
3-[[2-(Methoxymethyl)pyrimidin-5-yl]methyl]-3,9-diazaspiro[5.5]undecane
CID 56886496
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
N-methyl-5-[[methyl(2-piperidin-1-ylethyl)amino]methyl]pyrimidin-2-amine
CID 73945372

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The IUPAC name of 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane (CID 144878210) is 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane.
What is the SMILES notation for 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The canonical SMILES for 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane is Cc1ncc(CN2CC3(CCNCC3)C2)cn1.
What is the InChIKey of 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane?
The InChIKey is UJBPHRBTCWOSSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-11-15-6-12(7-16-11)8-17-9-13(10-17)2-4-14-5-3-13/h6-7,14H,2-5,8-10H2,1H3.
What are the key properties of 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane?
2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane has a molecular weight of 232.33 g/mol, XLogP of 0.97, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methylpyrimidin-5-yl)methyl]-2,7-diazaspiro[3.5]nonane is sourced from PubChem (CID 144878210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).