7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one

C26H30N6O3 — CID 154974754

IUPAC7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)NC3(COC3)C2C(C)C)n1
InChIInChI=1S/C26H30N6O3/c1-16(2)22-26(14-34-15-26)31-25(33)32(22)24-29-18(4)28-23(30-24)27-17(3)19-10-12-21(13-11-19)35-20-8-6-5-7-9-20/h5-13,16-17,22H,14-15H2,1-4H3,(H,31,33)(H,27,28,29,30)/t17-,22?/m0/s1
InChIKeyMAWVBBQRPHJORQ-LBOXEOMUSA-N
MW474.57 g/mol
LogP4.47
Rot. Bonds7

About 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one

7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one (PubChem CID 154974754) has the molecular formula C26H30N6O3 and a molecular weight of 474.57 g/mol. Its IUPAC name is 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one.

Molecular Properties

Compound Name7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one
PubChem CID154974754
Molecular FormulaC26H30N6O3
Molecular Weight474.57 g/mol
Exact Mass474.24
IUPAC Name7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one
SMILESCc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)NC3(COC3)C2C(C)C)n1
InChIInChI=1S/C26H30N6O3/c1-16(2)22-26(14-34-15-26)31-25(33)32(22)24-29-18(4)28-23(30-24)27-17(3)19-10-12-21(13-11-19)35-20-8-6-5-7-9-20/h5-13,16-17,22H,14-15H2,1-4H3,(H,31,33)(H,27,28,29,30)/t17-,22?/m0/s1
InChIKeyMAWVBBQRPHJORQ-LBOXEOMUSA-N
XLogP4.47
TPSA101.50 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.57
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
The IUPAC name of 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one (CID 154974754) is 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one.
What is the SMILES notation for 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
The canonical SMILES for 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one is Cc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)NC3(COC3)C2C(C)C)n1.
What is the InChIKey of 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
The InChIKey is MAWVBBQRPHJORQ-LBOXEOMUSA-N. The full InChI is InChI=1S/C26H30N6O3/c1-16(2)22-26(14-34-15-26)31-25(33)32(22)24-29-18(4)28-23(30-24)27-17(3)19-10-12-21(13-11-19)35-20-8-6-5-7-9-20/h5-13,16-17,22H,14-15H2,1-4H3,(H,31,33)(H,27,28,29,30)/t17-,22?/m0/s1.
What are the key properties of 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one?
7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one has a molecular weight of 474.57 g/mol, XLogP of 4.47, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-8-propan-2-yl-2-oxa-5,7-diazaspiro[3.4]octan-6-one is sourced from PubChem (CID 154974754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).