[(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

C24H27N5OS — CID 71603190

IUPAC[(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1cc(C)nc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1
InChIInChI=1S/C24H27N5OS/c1-15-11-16(2)27-23(26-15)25-13-19-12-24(9-10-24)14-29(19)22(30)20-21(31-17(3)28-20)18-7-5-4-6-8-18/h4-8,11,19H,9-10,12-14H2,1-3H3,(H,25,26,27)/t19-/m0/s1
InChIKeyPMJFHEYTYKKNJY-IBGZPJMESA-N
MW433.58 g/mol
LogP4.63
Rot. Bonds5

About [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone

[(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (PubChem CID 71603190) has the molecular formula C24H27N5OS and a molecular weight of 433.58 g/mol. Its IUPAC name is [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
PubChem CID71603190
Molecular FormulaC24H27N5OS
Molecular Weight433.58 g/mol
Exact Mass433.19
IUPAC Name[(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone
SMILESCc1cc(C)nc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1
InChIInChI=1S/C24H27N5OS/c1-15-11-16(2)27-23(26-15)25-13-19-12-24(9-10-24)14-29(19)22(30)20-21(31-17(3)28-20)18-7-5-4-6-8-18/h4-8,11,19H,9-10,12-14H2,1-3H3,(H,25,26,27)/t19-/m0/s1
InChIKeyPMJFHEYTYKKNJY-IBGZPJMESA-N
XLogP4.63
TPSA71.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The IUPAC name of [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone (CID 71603190) is [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is Cc1cc(C)nc(NC[C@@H]2CC3(CC3)CN2C(=O)c2nc(C)sc2-c2ccccc2)n1.
What is the InChIKey of [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
The InChIKey is PMJFHEYTYKKNJY-IBGZPJMESA-N. The full InChI is InChI=1S/C24H27N5OS/c1-15-11-16(2)27-23(26-15)25-13-19-12-24(9-10-24)14-29(19)22(30)20-21(31-17(3)28-20)18-7-5-4-6-8-18/h4-8,11,19H,9-10,12-14H2,1-3H3,(H,25,26,27)/t19-/m0/s1.
What are the key properties of [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone?
[(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone has a molecular weight of 433.58 g/mol, XLogP of 4.63, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(6S)-6-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-5-azaspiro[2.4]heptan-5-yl]-(2-methyl-5-phenyl-1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 71603190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).