6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane

C28H32N4O — CID 176626260

IUPAC6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
SMILESCc1ccc(C2(c3ccc(OCc4ccnc(N5CCC6(CNC6)C5)n4)cc3)CCC2)cc1
InChIInChI=1S/C28H32N4O/c1-21-3-5-22(6-4-21)28(12-2-13-28)23-7-9-25(10-8-23)33-17-24-11-15-30-26(31-24)32-16-14-27(20-32)18-29-19-27/h3-11,15,29H,2,12-14,16-20H2,1H3
InChIKeySWVHRMAXGKRFJU-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.63
Rot. Bonds6

About 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane

6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane (PubChem CID 176626260) has the molecular formula C28H32N4O and a molecular weight of 440.59 g/mol. Its IUPAC name is 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane.

Molecular Properties

Compound Name6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
PubChem CID176626260
Molecular FormulaC28H32N4O
Molecular Weight440.59 g/mol
Exact Mass440.26
IUPAC Name6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
SMILESCc1ccc(C2(c3ccc(OCc4ccnc(N5CCC6(CNC6)C5)n4)cc3)CCC2)cc1
InChIInChI=1S/C28H32N4O/c1-21-3-5-22(6-4-21)28(12-2-13-28)23-7-9-25(10-8-23)33-17-24-11-15-30-26(31-24)32-16-14-27(20-32)18-29-19-27/h3-11,15,29H,2,12-14,16-20H2,1H3
InChIKeySWVHRMAXGKRFJU-UHFFFAOYSA-N
XLogP4.63
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane with MolForge

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Related Compounds

2-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[4.4]nonane
CID 176625968
2-methyl-6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane
CID 176625502
7-[4-[[4-[3-(4-methylphenyl)oxetan-3-yl]phenoxy]methyl]pyrimidin-2-yl]-2,7-diazaspiro[3.5]nonane
CID 176626346
(3S)-1-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]pyrrolidin-3-ol
CID 176625993
4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]-2-(triazol-1-yl)pyrimidine
CID 176625670
7-[4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-2-methylsulfonyl-2,7-diazaspiro[3.4]octane
CID 176625824
6-[5-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrazin-2-yl]-2-oxa-6-azaspiro[3.3]heptane
CID 176626339
5-[1-[4-[[2-(azetidin-1-yl)pyrimidin-4-yl]methoxy]phenyl]cyclobutyl]-3-chloro-2-methylbenzonitrile
CID 176626417
4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 176626342
7-[4-[[4-[2-(4-methylphenyl)propan-2-yl]phenoxy]methyl]pyrimidin-2-yl]-1-oxa-7-azaspiro[3.5]nonane
CID 176625711
3-[4-[2-[4-[[2-(7-methyl-2,7-diazaspiro[4.4]nonan-2-yl)pyrimidin-4-yl]methoxy]phenyl]propan-2-yl]phenoxy]cyclobutan-1-amine
CID 171612609
(5S)-2-(4-methylpyrimidin-2-yl)-2,9-diazaspiro[4.5]decane
CID 95222078

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane?
The IUPAC name of 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane (CID 176626260) is 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane.
What is the SMILES notation for 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane?
The canonical SMILES for 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane is Cc1ccc(C2(c3ccc(OCc4ccnc(N5CCC6(CNC6)C5)n4)cc3)CCC2)cc1.
What is the InChIKey of 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane?
The InChIKey is SWVHRMAXGKRFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N4O/c1-21-3-5-22(6-4-21)28(12-2-13-28)23-7-9-25(10-8-23)33-17-24-11-15-30-26(31-24)32-16-14-27(20-32)18-29-19-27/h3-11,15,29H,2,12-14,16-20H2,1H3.
What are the key properties of 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane?
6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane has a molecular weight of 440.59 g/mol, XLogP of 4.63, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[4-[1-(4-methylphenyl)cyclobutyl]phenoxy]methyl]pyrimidin-2-yl]-2,6-diazaspiro[3.4]octane is sourced from PubChem (CID 176626260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).