9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

C25H30N6O4 — CID 57405234

IUPAC9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cccc(-c2ocnc2CN2CCNC3(CCN(c4nc(C)cc(OC)n4)CC3)C2=O)c1
InChIInChI=1S/C25H30N6O4/c1-17-13-21(34-3)29-24(28-17)30-10-7-25(8-11-30)23(32)31(12-9-27-25)15-20-22(35-16-26-20)18-5-4-6-19(14-18)33-2/h4-6,13-14,16,27H,7-12,15H2,1-3H3
InChIKeyATXQNTLOTGDVNM-UHFFFAOYSA-N
MW478.55 g/mol
LogP2.43
Rot. Bonds6

About 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one

9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (PubChem CID 57405234) has the molecular formula C25H30N6O4 and a molecular weight of 478.55 g/mol. Its IUPAC name is 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.

Molecular Properties

Compound Name9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
PubChem CID57405234
Molecular FormulaC25H30N6O4
Molecular Weight478.55 g/mol
Exact Mass478.23
IUPAC Name9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
SMILESCOc1cccc(-c2ocnc2CN2CCNC3(CCN(c4nc(C)cc(OC)n4)CC3)C2=O)c1
InChIInChI=1S/C25H30N6O4/c1-17-13-21(34-3)29-24(28-17)30-10-7-25(8-11-30)23(32)31(12-9-27-25)15-20-22(35-16-26-20)18-5-4-6-19(14-18)33-2/h4-6,13-14,16,27H,7-12,15H2,1-3H3
InChIKeyATXQNTLOTGDVNM-UHFFFAOYSA-N
XLogP2.43
TPSA105.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one with MolForge

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Related Compounds

9-(4,6-dimethylpyrimidin-2-yl)-4-[[1-methyl-4-[3-(trifluoromethoxy)phenyl]pyrazol-3-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one
CID 67979711
4-[[4-[3-(cyclopropylmethoxy)phenyl]-1-methylpyrazol-3-yl]methyl]-9-(4,6-dimethylpyrimidin-2-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 67979527
2-(1H-indol-3-ylmethyl)-7-(4-methoxy-6-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 67979892
2-(3H-inden-1-ylmethyl)-8-(4-methoxy-6-methylpyrimidin-2-yl)-2,8-diazaspiro[4.5]decan-1-one
CID 158852546
2-(4-methoxy-6-methylpyrimidin-2-yl)-7-[[1-(4-methylphenyl)sulfonylindol-3-yl]methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 67979594
(5R)-2-[(3-methoxyphenyl)methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[4.4]nonan-1-one
CID 97451671
(5R)-2-[(3-methoxyphenyl)methyl]-7-(5-methylpyrimidin-2-yl)-2,7-diazaspiro[4.4]nonan-1-one
CID 97451677
[1-(4-methoxy-6-methylpyrimidin-2-yl)-4-methylsulfanylpiperidin-4-yl]methanamine
CID 112634707
4-[(3-methoxyphenyl)methoxy]-6-methyl-2-piperidin-1-ylpyrimidine
CID 75358366
4-(4,6-dimethylpyrimidin-2-yl)-1-[(3-methoxyphenyl)methyl]piperazin-2-one
CID 39773361
9-(4,6-dimethylpyrimidin-2-yl)-4-[(5-phenyl-2H-triazol-4-yl)methyl]-1-oxa-4,9-diazaspiro[5.5]undecan-5-one
CID 57406256
5-(3-methoxyphenyl)-4-(4-methylphenyl)sulfonyl-1,3-oxazole
CID 134820719

Frequently Asked Questions

What is the IUPAC name of 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The IUPAC name of 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one (CID 57405234) is 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one.
What is the SMILES notation for 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The canonical SMILES for 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is COc1cccc(-c2ocnc2CN2CCNC3(CCN(c4nc(C)cc(OC)n4)CC3)C2=O)c1.
What is the InChIKey of 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
The InChIKey is ATXQNTLOTGDVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O4/c1-17-13-21(34-3)29-24(28-17)30-10-7-25(8-11-30)23(32)31(12-9-27-25)15-20-22(35-16-26-20)18-5-4-6-19(14-18)33-2/h4-6,13-14,16,27H,7-12,15H2,1-3H3.
What are the key properties of 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one?
9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one has a molecular weight of 478.55 g/mol, XLogP of 2.43, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-methoxy-6-methylpyrimidin-2-yl)-4-[[5-(3-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-1,4,9-triazaspiro[5.5]undecan-5-one is sourced from PubChem (CID 57405234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).