(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone

C17H25N3O4 — CID 72932755

IUPAC(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc(C)n1
InChIInChI=1S/C17H25N3O4/c1-11-9-13(19-12(2)18-11)16(23)20-5-3-17(4-6-20)14(22)10-15(17)24-8-7-21/h9,14-15,21-22H,3-8,10H2,1-2H3/t14-,15+/m1/s1
InChIKeyHAULCVLGGCOPFS-CABCVRRESA-N
MW335.40 g/mol
LogP0.46
Rot. Bonds4

About (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone

(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone (PubChem CID 72932755) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
PubChem CID72932755
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
SMILESCc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc(C)n1
InChIInChI=1S/C17H25N3O4/c1-11-9-13(19-12(2)18-11)16(23)20-5-3-17(4-6-20)14(22)10-15(17)24-8-7-21/h9,14-15,21-22H,3-8,10H2,1-2H3/t14-,15+/m1/s1
InChIKeyHAULCVLGGCOPFS-CABCVRRESA-N
XLogP0.46
TPSA95.78 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(1S,3R)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
CID 133134947
[(1S,3R)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 97216206
1,3-benzothiazol-6-yl-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone
CID 70765958
[(1R,3S)-3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 97216105
2-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]-5,6-dimethylpyridine-3-carboxamide
CID 86283097
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-[5-(5-methylfuran-2-yl)-1H-pyrazol-3-yl]methanone;hydrochloride
CID 154896707
1-[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-2-(5-amino-3-methylpyrazol-1-yl)ethanone
CID 70777964
[(1R,3S)-3-(2-aminoethoxy)-1-hydroxy-7-azaspiro[3.5]nonan-7-yl]-(2-fluoro-4-methylphenyl)methanone;hydrochloride
CID 154896563
(2,6-dimethylpyrimidin-4-yl)-[(3S,4S)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methanone
CID 155498555
(3-ethoxy-1-hydroxy-7-azaspiro[3.5]nonan-7-yl)-(5-methyl-3-pyridinyl)methanone
CID 111470335
(2,6-dimethylpyrimidin-4-yl)-(3-methyl-3,9-diazaspiro[5.6]dodecan-9-yl)methanone
CID 56740288
[(4aS,8aS)-4a-(hydroxymethyl)-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridin-7-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 135095838

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone (CID 72932755) is (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone is Cc1cc(C(=O)N2CCC3(CC2)[C@H](O)C[C@@H]3OCCO)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
The InChIKey is HAULCVLGGCOPFS-CABCVRRESA-N. The full InChI is InChI=1S/C17H25N3O4/c1-11-9-13(19-12(2)18-11)16(23)20-5-3-17(4-6-20)14(22)10-15(17)24-8-7-21/h9,14-15,21-22H,3-8,10H2,1-2H3/t14-,15+/m1/s1.
What are the key properties of (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone?
(2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone has a molecular weight of 335.40 g/mol, XLogP of 0.46, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl)-[(1R,3S)-1-hydroxy-3-(2-hydroxyethoxy)-7-azaspiro[3.5]nonan-7-yl]methanone is sourced from PubChem (CID 72932755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).