(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane

C19H25N5O — CID 124809519

IUPAC(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCc2ccccn2)[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C19H25N5O/c1-23-11-16(12-25-13-17-5-2-3-7-20-17)19(14-23)6-10-24(15-19)18-21-8-4-9-22-18/h2-5,7-9,16H,6,10-15H2,1H3/t16-,19+/m1/s1
InChIKeyNUVHRHCTQKMAIX-APWZRJJASA-N
MW339.44 g/mol
LogP1.85
Rot. Bonds5

About (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane

(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane (PubChem CID 124809519) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane.

Molecular Properties

Compound Name(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane
PubChem CID124809519
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane
SMILESCN1C[C@H](COCc2ccccn2)[C@@]2(CCN(c3ncccn3)C2)C1
InChIInChI=1S/C19H25N5O/c1-23-11-16(12-25-13-17-5-2-3-7-20-17)19(14-23)6-10-24(15-19)18-21-8-4-9-22-18/h2-5,7-9,16H,6,10-15H2,1H3/t16-,19+/m1/s1
InChIKeyNUVHRHCTQKMAIX-APWZRJJASA-N
XLogP1.85
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]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

(5R,9R)-7-methyl-2-(oxan-4-yl)-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonane
CID 97477757
2-[[(5S,9S)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methyl]-1,3-thiazole
CID 124814501
(3-methylcyclobutyl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689383
(5-methylfuran-2-yl)-[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]methanone
CID 131689406
[(5R,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-(oxolan-3-yl)methanone
CID 131689100
2-methyl-8-(pyridin-2-ylmethoxymethyl)-5λ6-thia-2-azaspiro[3.4]octane 5,5-dioxide
CID 133139969
(4S,5S)-9-(5-fluoropyrimidin-2-yl)-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451848
(5S,9S)-9-(methoxymethyl)-2-[(2-methoxyphenyl)methyl]-7-methyl-2,7-diazaspiro[4.4]nonane
CID 124815773
[(5R,9R)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2,7-diazaspiro[4.4]nonan-2-yl]-pyrrolidin-1-ylmethanone
CID 97486946
(4S,5S)-9-methylsulfonyl-4-(pyridin-2-ylmethoxymethyl)-6-oxa-9-azaspiro[4.5]decane
CID 97451863
(5S,9S)-7-methyl-9-(pyridin-3-ylmethoxymethyl)-2-(thiophen-3-ylmethyl)-2,7-diazaspiro[4.4]nonane
CID 124815069
(5S,9S)-9-(methoxymethyl)-7-methyl-2-[(2-methylphenyl)methyl]-2,7-diazaspiro[4.4]nonane
CID 124822149

Frequently Asked Questions

What is the IUPAC name of (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane?
The IUPAC name of (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane (CID 124809519) is (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane.
What is the SMILES notation for (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane?
The canonical SMILES for (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane is CN1C[C@H](COCc2ccccn2)[C@@]2(CCN(c3ncccn3)C2)C1.
What is the InChIKey of (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane?
The InChIKey is NUVHRHCTQKMAIX-APWZRJJASA-N. The full InChI is InChI=1S/C19H25N5O/c1-23-11-16(12-25-13-17-5-2-3-7-20-17)19(14-23)6-10-24(15-19)18-21-8-4-9-22-18/h2-5,7-9,16H,6,10-15H2,1H3/t16-,19+/m1/s1.
What are the key properties of (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane?
(5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane has a molecular weight of 339.44 g/mol, XLogP of 1.85, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9R)-7-methyl-9-(pyridin-2-ylmethoxymethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonane is sourced from PubChem (CID 124809519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).