[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone

C18H22N4OS — CID 110139348

IUPAC[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)c1
InChIInChI=1S/C18H22N4OS/c1-13-7-15(24-10-13)17(23)22-6-4-18(11-22)8-14(9-18)21(2)16-3-5-19-12-20-16/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3
InChIKeyUVEVIJREIQBUEM-UHFFFAOYSA-N
MW342.47 g/mol
LogP2.98
Rot. Bonds3

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

[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone (PubChem CID 110139348) has the molecular formula C18H22N4OS and a molecular weight of 342.47 g/mol. Its IUPAC name is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone.

Molecular Properties

Compound Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone
PubChem CID110139348
Molecular FormulaC18H22N4OS
Molecular Weight342.47 g/mol
Exact Mass342.15
IUPAC Name[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone
SMILESCc1csc(C(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)c1
InChIInChI=1S/C18H22N4OS/c1-13-7-15(24-10-13)17(23)22-6-4-18(11-22)8-14(9-18)21(2)16-3-5-19-12-20-16/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3
InChIKeyUVEVIJREIQBUEM-UHFFFAOYSA-N
XLogP2.98
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.47
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone?
The IUPAC name of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone (CID 110139348) is [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone.
What is the SMILES notation for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone?
The canonical SMILES for [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone is Cc1csc(C(=O)N2CCC3(CC(N(C)c4ccncn4)C3)C2)c1.
What is the InChIKey of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone?
The InChIKey is UVEVIJREIQBUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4OS/c1-13-7-15(24-10-13)17(23)22-6-4-18(11-22)8-14(9-18)21(2)16-3-5-19-12-20-16/h3,5,7,10,12,14H,4,6,8-9,11H2,1-2H3.
What are the key properties of [2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone?
[2-[methyl(pyrimidin-4-yl)amino]-6-azaspiro[3.4]octan-6-yl]-(4-methylthiophen-2-yl)methanone has a molecular weight of 342.47 g/mol, XLogP of 2.98, 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]-(4-methylthiophen-2-yl)methanone is sourced from PubChem (CID 110139348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).