2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

C20H29N5O2 — CID 70739709

IUPAC2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1noc2ncnc(N3CCCC4(CCC(=O)N(CCC(C)C)C4)C3)c12
InChIInChI=1S/C20H29N5O2/c1-14(2)6-10-24-11-20(8-5-16(24)26)7-4-9-25(12-20)18-17-15(3)23-27-19(17)22-13-21-18/h13-14H,4-12H2,1-3H3
InChIKeyZXBXCJGXCDGOML-UHFFFAOYSA-N
MW371.49 g/mol
LogP3.18
Rot. Bonds4

About 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one

2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (PubChem CID 70739709) has the molecular formula C20H29N5O2 and a molecular weight of 371.49 g/mol. Its IUPAC name is 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
PubChem CID70739709
Molecular FormulaC20H29N5O2
Molecular Weight371.49 g/mol
Exact Mass371.23
IUPAC Name2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
SMILESCc1noc2ncnc(N3CCCC4(CCC(=O)N(CCC(C)C)C4)C3)c12
InChIInChI=1S/C20H29N5O2/c1-14(2)6-10-24-11-20(8-5-16(24)26)7-4-9-25(12-20)18-17-15(3)23-27-19(17)22-13-21-18/h13-14H,4-12H2,1-3H3
InChIKeyZXBXCJGXCDGOML-UHFFFAOYSA-N
XLogP3.18
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.49
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

8-(3-fluoro-2-pyridinyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70746280
2-(3-methylbutyl)-8-quinoxalin-2-yl-2,8-diazaspiro[5.5]undecan-3-one
CID 70785136
2-butyl-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70742005
(6R)-2-[2-(dimethylamino)ethyl]-8-(5-propan-2-ylpyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95866660
(6S)-8-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)-2-(3-methoxypropyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 95861690
1-[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]-2-pyrrolidin-1-ylethane-1,2-dione
CID 72933840
8-(4,6-dimethylpyridine-3-carbonyl)-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70712179
8-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70783606
5-[[2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]methyl]-1,2,4-oxadiazole-3-carboxamide
CID 70755169
8-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]-2-(3-methylbutyl)-2,8-diazaspiro[5.5]undecan-3-one
CID 70736760
2-[(6S)-2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecan-8-yl]acetamide
CID 97122740
methyl 2-(3-methylbutyl)-3-oxo-2,8-diazaspiro[5.5]undecane-8-carboxylate
CID 72863193

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one (CID 70739709) is 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is Cc1noc2ncnc(N3CCCC4(CCC(=O)N(CCC(C)C)C4)C3)c12.
What is the InChIKey of 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
The InChIKey is ZXBXCJGXCDGOML-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O2/c1-14(2)6-10-24-11-20(8-5-16(24)26)7-4-9-25(12-20)18-17-15(3)23-27-19(17)22-13-21-18/h13-14H,4-12H2,1-3H3.
What are the key properties of 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one?
2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one has a molecular weight of 371.49 g/mol, XLogP of 3.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylbutyl)-8-(3-methyl-[1,2]oxazolo[5,4-d]pyrimidin-4-yl)-2,8-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 70739709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).