[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone

C17H20N4OS — CID 110139235

IUPAC[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C17H20N4OS/c1-20(15-4-6-18-12-19-15)13-9-17(10-13)5-7-21(11-17)16(22)14-3-2-8-23-14/h2-4,6,8,12-13H,5,7,9-11H2,1H3
InChIKeyBLIIUOVUDBVPNA-UHFFFAOYSA-N
MW328.44 g/mol
LogP2.67
Rot. Bonds3

About [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone (PubChem CID 110139235) has the molecular formula C17H20N4OS and a molecular weight of 328.44 g/mol. Its IUPAC name is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone
PubChem CID110139235
Molecular FormulaC17H20N4OS
Molecular Weight328.44 g/mol
Exact Mass328.14
IUPAC Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone
SMILESCN(c1ccncn1)C1CC2(CCN(C(=O)c3cccs3)C2)C1
InChIInChI=1S/C17H20N4OS/c1-20(15-4-6-18-12-19-15)13-9-17(10-13)5-7-21(11-17)16(22)14-3-2-8-23-14/h2-4,6,8,12-13H,5,7,9-11H2,1H3
InChIKeyBLIIUOVUDBVPNA-UHFFFAOYSA-N
XLogP2.67
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.44
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone with MolForge

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Related Compounds

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(1,2-oxazol-5-yl)methanone
CID 110139275
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(oxan-2-yl)methanone
CID 110139378
N-methyl-N-pyrimidin-4-yl-6-(thiophen-3-ylmethyl)-6-azaspiro[3.4]octan-2-amine
CID 110139315
N-methyl-6-(6-methyl-2-pyridinyl)-N-pyrimidin-4-yl-6-azaspiro[3.4]octan-2-amine
CID 110139260
[(5S)-2-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97450106
(3,3-difluoropyrrolidin-1-yl)-thiophen-2-ylmethanone
CID 122269158
3-fluoro-1-(thiophene-2-carbonyl)pyrrolidine-3-carboxylic acid
CID 115731719
(4,4-diethylpiperidin-1-yl)-thiophen-2-ylmethanone
CID 64592496
[(5R)-2-(pyridin-2-ylmethyl)-2,7-diazaspiro[4.5]decan-7-yl]-thiophen-2-ylmethanone
CID 97370418
2-methoxy-1-[3-(thiophene-2-carbonyl)-3,9-diazaspiro[5.5]undecan-9-yl]ethanone
CID 97370699
[2-(dimethylamino)-6-azaspiro[3.4]octan-6-yl]-pyridazin-4-ylmethanone
CID 98894548
[4-[cyclopropyl(pyrimidin-4-yl)amino]piperidin-1-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 126889978

Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone?
The IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone (CID 110139235) is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone is CN(c1ccncn1)C1CC2(CCN(C(=O)c3cccs3)C2)C1.
What is the InChIKey of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone?
The InChIKey is BLIIUOVUDBVPNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4OS/c1-20(15-4-6-18-12-19-15)13-9-17(10-13)5-7-21(11-17)16(22)14-3-2-8-23-14/h2-4,6,8,12-13H,5,7,9-11H2,1H3.
What are the key properties of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone?
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone has a molecular weight of 328.44 g/mol, XLogP of 2.67, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 110139235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).