6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane

C25H27N3O2 — CID 176625631

IUPAC6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(N4CC5(COC5)C4)nc3)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-4-6-19(7-5-18)24(2,3)20-8-10-21(11-9-20)30-22-12-26-23(27-13-22)28-14-25(15-28)16-29-17-25/h4-13H,14-17H2,1-3H3
InChIKeyVOOZOBJYUXYPNG-UHFFFAOYSA-N
MW401.51 g/mol
LogP4.74
Rot. Bonds5

About 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane

6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane (PubChem CID 176625631) has the molecular formula C25H27N3O2 and a molecular weight of 401.51 g/mol. Its IUPAC name is 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane.

Molecular Properties

Compound Name6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
PubChem CID176625631
Molecular FormulaC25H27N3O2
Molecular Weight401.51 g/mol
Exact Mass401.21
IUPAC Name6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
SMILESCc1ccc(C(C)(C)c2ccc(Oc3cnc(N4CC5(COC5)C4)nc3)cc2)cc1
InChIInChI=1S/C25H27N3O2/c1-18-4-6-19(7-5-18)24(2,3)20-8-10-21(11-9-20)30-22-12-26-23(27-13-22)28-14-25(15-28)16-29-17-25/h4-13H,14-17H2,1-3H3
InChIKeyVOOZOBJYUXYPNG-UHFFFAOYSA-N
XLogP4.74
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 54.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane with MolForge

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

Launch Full Analysis

Related Compounds

6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176626523
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-(triazol-2-yl)pyrimidine
CID 176626174
6-[5-fluoro-6-[1-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]ethyl]pyrimidin-4-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176626360
1,3,5-tris[4-[4-[2-[4-[2-[4-(4-methylphenoxy)phenyl]propan-2-yl]phenyl]propan-2-yl]phenoxy]phenoxy]benzene
CID 102304470
2-(5-methylpyrimidin-2-yl)-7-oxa-2-azaspiro[3.5]nonane
CID 163233608
1-methyl-4-[4-[2-[4-(3-methylpentan-3-yl)phenyl]propan-2-yl]phenoxy]benzene
CID 163745611
2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-5-amine
CID 166532350
1-[5-(4-methylphenoxy)pyrimidin-2-yl]piperidin-4-amine
CID 117224507
4-[2-[4-[[2-(2-oxa-6-azaspiro[3.3]heptan-6-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]benzamide
CID 171612537
4-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]benzenethiol
CID 142069246
5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]-2-pyrazol-1-ylpyridine
CID 176626367
7-[7-[4-[2-(4-methylphenyl)propan-2-yl]phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]-2-oxa-7-azaspiro[4.4]nonane
CID 176626222

Frequently Asked Questions

What is the IUPAC name of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The IUPAC name of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane (CID 176625631) is 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane.
What is the SMILES notation for 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The canonical SMILES for 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane is Cc1ccc(C(C)(C)c2ccc(Oc3cnc(N4CC5(COC5)C4)nc3)cc2)cc1.
What is the InChIKey of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
The InChIKey is VOOZOBJYUXYPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O2/c1-18-4-6-19(7-5-18)24(2,3)20-8-10-21(11-9-20)30-22-12-26-23(27-13-22)28-14-25(15-28)16-29-17-25/h4-13H,14-17H2,1-3H3.
What are the key properties of 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane?
6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane has a molecular weight of 401.51 g/mol, XLogP of 4.74, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]pyrimidin-2-yl]-2-oxa-6-azaspiro[3.3]heptane is sourced from PubChem (CID 176625631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).