[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C22H30N4O — CID 99760286

IUPAC[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1ccc(CN2CCC3(CC2)CN(c2ncccn2)C[C@@H]3CO)cc1C
InChIInChI=1S/C22H30N4O/c1-17-4-5-19(12-18(17)2)13-25-10-6-22(7-11-25)16-26(14-20(22)15-27)21-23-8-3-9-24-21/h3-5,8-9,12,20,27H,6-7,10-11,13-16H2,1-2H3/t20-/m1/s1
InChIKeyZXCOOODUDFBMPC-HXUWFJFHSA-N
MW366.51 g/mol
LogP2.80
Rot. Bonds4

About [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 99760286) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID99760286
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC Name[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1ccc(CN2CCC3(CC2)CN(c2ncccn2)C[C@@H]3CO)cc1C
InChIInChI=1S/C22H30N4O/c1-17-4-5-19(12-18(17)2)13-25-10-6-22(7-11-25)16-26(14-20(22)15-27)21-23-8-3-9-24-21/h3-5,8-9,12,20,27H,6-7,10-11,13-16H2,1-2H3/t20-/m1/s1
InChIKeyZXCOOODUDFBMPC-HXUWFJFHSA-N
XLogP2.80
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol with MolForge

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Related Compounds

[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921973
[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91922296
1-[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-(3-methylphenoxy)ethanone
CID 91921959
1-[(3,4-dimethylphenyl)methyl]-4-methylpiperidin-4-ol
CID 81116386
[4-(hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-(6-methoxy-3-pyridinyl)methanone
CID 91921948
[8-[(4-ethylphenyl)methyl]-2-methyl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921744
[8-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921927
3-[[2-acetyl-4-(hydroxymethyl)-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzonitrile
CID 91925038
[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 176970640
1-[4-(hydroxymethyl)-8-[[3-(trifluoromethoxy)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]ethanone
CID 91921752
2-methyl-4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]benzenesulfonamide
CID 69189905
1-[4-[(3,4-dimethylphenyl)methyl]piperazin-1-yl]ethanone
CID 123780997

Frequently Asked Questions

What is the IUPAC name of [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 99760286) is [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is Cc1ccc(CN2CCC3(CC2)CN(c2ncccn2)C[C@@H]3CO)cc1C.
What is the InChIKey of [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is ZXCOOODUDFBMPC-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H30N4O/c1-17-4-5-19(12-18(17)2)13-25-10-6-22(7-11-25)16-26(14-20(22)15-27)21-23-8-3-9-24-21/h3-5,8-9,12,20,27H,6-7,10-11,13-16H2,1-2H3/t20-/m1/s1.
What are the key properties of [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 366.51 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 99760286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).