(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

C13H16ClN3O2 — CID 71971550

IUPAC(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCC3(CCOC3)C2)n1
InChIInChI=1S/C13H16ClN3O2/c1-9-15-6-10(14)11(16-9)12(18)17-4-2-13(7-17)3-5-19-8-13/h6H,2-5,7-8H2,1H3
InChIKeyUYOMIMQAVMALGI-UHFFFAOYSA-N
MW281.74 g/mol
LogP1.69
Rot. Bonds1

About (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone

(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (PubChem CID 71971550) has the molecular formula C13H16ClN3O2 and a molecular weight of 281.74 g/mol. Its IUPAC name is (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.

Molecular Properties

Compound Name(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
PubChem CID71971550
Molecular FormulaC13H16ClN3O2
Molecular Weight281.74 g/mol
Exact Mass281.09
IUPAC Name(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
SMILESCc1ncc(Cl)c(C(=O)N2CCC3(CCOC3)C2)n1
InChIInChI=1S/C13H16ClN3O2/c1-9-15-6-10(14)11(16-9)12(18)17-4-2-13(7-17)3-5-19-8-13/h6H,2-5,7-8H2,1H3
InChIKeyUYOMIMQAVMALGI-UHFFFAOYSA-N
XLogP1.69
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.74
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone with MolForge

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Related Compounds

(5-chloro-2-methylpyrimidin-4-yl)-[(3R,4S)-3-methyl-4-morpholin-4-ylpyrrolidin-1-yl]methanone
CID 95780621
(5S)-N-(2-chloro-6-methylphenyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99633932
2-oxa-7-azaspiro[4.4]nonan-7-yl(1,2-oxazol-5-yl)methanone
CID 131641455
(4-amino-5-chloro-2-methoxyphenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 119813660
1-(5-chloro-2-propan-2-ylpyrimidine-4-carbonyl)-3-fluoropyrrolidine-3-carboxylic acid
CID 119258577
2-(3,5-dimethylphenoxy)-1-(2-oxa-7-azaspiro[4.4]nonan-7-yl)ethanone
CID 71854849
(5S)-N-(5-fluoro-2-pyridinyl)-2-oxa-7-azaspiro[4.4]nonane-7-carboxamide
CID 99786692
(2-butan-2-yloxy-4-pyridinyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone
CID 84596637
(5-chloro-2-pyrrolidin-1-ylpyrimidin-4-yl)-(2,2-dimethylmorpholin-4-yl)methanone
CID 87001091
(5-chloro-2-methylpyrimidin-4-yl)-[4-(1H-imidazol-2-yl)piperidin-1-yl]methanone
CID 166214756
(3-aminophenyl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone;hydrochloride
CID 119813649
(5-chloro-2-propan-2-ylpyrimidin-4-yl)-(1,4-oxazepan-4-yl)methanone
CID 62061026

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The IUPAC name of (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone (CID 71971550) is (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone.
What is the SMILES notation for (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The canonical SMILES for (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is Cc1ncc(Cl)c(C(=O)N2CCC3(CCOC3)C2)n1.
What is the InChIKey of (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
The InChIKey is UYOMIMQAVMALGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O2/c1-9-15-6-10(14)11(16-9)12(18)17-4-2-13(7-17)3-5-19-8-13/h6H,2-5,7-8H2,1H3.
What are the key properties of (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone?
(5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone has a molecular weight of 281.74 g/mol, XLogP of 1.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-methylpyrimidin-4-yl)-(2-oxa-7-azaspiro[4.4]nonan-7-yl)methanone is sourced from PubChem (CID 71971550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).