2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

C20H27N5 — CID 97393864

IUPAC2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CCCC3(CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C20H27N5/c1-17-5-2-6-18(23-17)15-24-12-3-7-20(16-24)8-13-25(14-9-20)19-21-10-4-11-22-19/h2,4-6,10-11H,3,7-9,12-16H2,1H3
InChIKeyIDGGZVDDSCNPMI-UHFFFAOYSA-N
MW337.47 g/mol
LogP3.06
Rot. Bonds3

About 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane

2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (PubChem CID 97393864) has the molecular formula C20H27N5 and a molecular weight of 337.47 g/mol. Its IUPAC name is 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
PubChem CID97393864
Molecular FormulaC20H27N5
Molecular Weight337.47 g/mol
Exact Mass337.23
IUPAC Name2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
SMILESCc1cccc(CN2CCCC3(CCN(c4ncccn4)CC3)C2)n1
InChIInChI=1S/C20H27N5/c1-17-5-2-6-18(23-17)15-24-12-3-7-20(16-24)8-13-25(14-9-20)19-21-10-4-11-22-19/h2,4-6,10-11H,3,7-9,12-16H2,1H3
InChIKeyIDGGZVDDSCNPMI-UHFFFAOYSA-N
XLogP3.06
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane 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

8-[(6-methyl-2-pyridinyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449503
1-[(6-methyl-2-pyridinyl)methyl]-4-pyrimidin-2-yl-1,4-diazepane
CID 95811450
(5R)-2-(2-fluoroethyl)-7-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decane
CID 97483305
3-methyl-1-[(6-methyl-2-pyridinyl)methyl]piperidin-3-ol
CID 115873962
N,N-dimethyl-2-[(5R)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]acetamide
CID 97482384
2,9-bis(pyridin-2-ylmethyl)-2,9-diazaspiro[4.5]decane
CID 131649183
(2-ethylpyrazol-3-yl)-[8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-2-yl]methanone
CID 155878250
(6S)-2-[(5-methylpyrazin-2-yl)methyl]-8-[(6-methyl-2-pyridinyl)methyl]-2,8-diazaspiro[5.5]undecan-3-one
CID 97119844
(5S)-2-(4-fluorophenyl)sulfonyl-9-[(6-methyl-2-pyridinyl)methyl]-2,9-diazaspiro[4.5]decane
CID 97483247
2-[(4-methoxyphenyl)methyl]-8-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 97449653
3-(cyclopropylmethyl)-2-methyl-5-[(6-methyl-2-pyridinyl)methyl]-1'-pyrimidin-2-ylspiro[4,6-dihydroimidazo[4,5-c]pyridine-7,4'-piperidine];tris(2,2,2-trifluoroacetic acid)
CID 155831222
1-[(5S)-2-[(6-methyl-2-pyridinyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-2-phenoxyethanone
CID 95221644

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The IUPAC name of 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane (CID 97393864) is 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The canonical SMILES for 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is Cc1cccc(CN2CCCC3(CCN(c4ncccn4)CC3)C2)n1.
What is the InChIKey of 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
The InChIKey is IDGGZVDDSCNPMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5/c1-17-5-2-6-18(23-17)15-24-12-3-7-20(16-24)8-13-25(14-9-20)19-21-10-4-11-22-19/h2,4-6,10-11H,3,7-9,12-16H2,1H3.
What are the key properties of 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane?
2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane has a molecular weight of 337.47 g/mol, XLogP of 3.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-2-pyridinyl)methyl]-9-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97393864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).