(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

C18H24N4O2S — CID 97126852

IUPAC(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3nc(C)nc4sccc34)C2)C1=O
InChIInChI=1S/C18H24N4O2S/c1-13-19-15(14-4-11-25-16(14)20-13)22-8-6-18(12-22)5-3-7-21(17(18)23)9-10-24-2/h4,11H,3,5-10,12H2,1-2H3/t18-/m1/s1
InChIKeyIBJBDDLFGNUCPF-GOSISDBHSA-N
MW360.48 g/mol
LogP2.47
Rot. Bonds4

About (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one

(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 97126852) has the molecular formula C18H24N4O2S and a molecular weight of 360.48 g/mol. Its IUPAC name is (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID97126852
Molecular FormulaC18H24N4O2S
Molecular Weight360.48 g/mol
Exact Mass360.16
IUPAC Name(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
SMILESCOCCN1CCC[C@]2(CCN(c3nc(C)nc4sccc34)C2)C1=O
InChIInChI=1S/C18H24N4O2S/c1-13-19-15(14-4-11-25-16(14)20-13)22-8-6-18(12-22)5-3-7-21(17(18)23)9-10-24-2/h4,11H,3,5-10,12H2,1-2H3/t18-/m1/s1
InChIKeyIBJBDDLFGNUCPF-GOSISDBHSA-N
XLogP2.47
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 72840019
(5R)-2-(3,6-dimethylpyrazin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97187615
(5R)-2-(3,5-dichloro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97205529
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-5,6-dimethylpyridine-3-carbonitrile
CID 97192168
2-[(5R)-7-(2-methoxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]-6-propan-2-ylpyridine-3-carbonitrile
CID 97149850
2-(4-ethyl-5-methylpyrimidin-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72937971
2-(5-fluoro-2-pyridinyl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72907338
(5R)-7-(2-methoxyethyl)-2-[6-(trifluoromethyl)-2-pyridinyl]-2,7-diazaspiro[4.5]decan-6-one
CID 97117399
(5R)-7-(2-methoxyethyl)-2-[4-(trifluoromethyl)pyrimidin-2-yl]-2,7-diazaspiro[4.5]decan-6-one
CID 97118355
(5R)-7-(2-methoxyethyl)-2-(4,7,8-trimethylquinolin-2-yl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195240
(5R)-2-[3-(hydroxymethyl)-8-methylquinolin-2-yl]-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97195385
(5S)-2-(6-chloro-1,3-benzothiazol-2-yl)-7-(2-methoxyethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 97209487

Frequently Asked Questions

What is the IUPAC name of (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one (CID 97126852) is (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is COCCN1CCC[C@]2(CCN(c3nc(C)nc4sccc34)C2)C1=O.
What is the InChIKey of (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is IBJBDDLFGNUCPF-GOSISDBHSA-N. The full InChI is InChI=1S/C18H24N4O2S/c1-13-19-15(14-4-11-25-16(14)20-13)22-8-6-18(12-22)5-3-7-21(17(18)23)9-10-24-2/h4,11H,3,5-10,12H2,1-2H3/t18-/m1/s1.
What are the key properties of (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one?
(5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 360.48 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-7-(2-methoxyethyl)-2-(2-methylthieno[2,3-d]pyrimidin-4-yl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 97126852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).