[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H25N5O — CID 91921973

IUPAC[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ncccn2)CC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C19H25N5O/c25-14-17-13-24(18-21-7-2-8-22-18)15-19(17)4-9-23(10-5-19)12-16-3-1-6-20-11-16/h1-3,6-8,11,17,25H,4-5,9-10,12-15H2
InChIKeyFCHTVKSRGJTWEI-UHFFFAOYSA-N
MW339.44 g/mol
LogP1.58
Rot. Bonds4

About [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921973) has the molecular formula C19H25N5O and a molecular weight of 339.44 g/mol. Its IUPAC name is [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921973
Molecular FormulaC19H25N5O
Molecular Weight339.44 g/mol
Exact Mass339.21
IUPAC Name[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ncccn2)CC12CCN(Cc1cccnc1)CC2
InChIInChI=1S/C19H25N5O/c25-14-17-13-24(18-21-7-2-8-22-18)15-19(17)4-9-23(10-5-19)12-16-3-1-6-20-11-16/h1-3,6-8,11,17,25H,4-5,9-10,12-15H2
InChIKeyFCHTVKSRGJTWEI-UHFFFAOYSA-N
XLogP1.58
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(4R)-8-[(3,4-dimethylphenyl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99760286
[8-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91922296
[3-(3-methylsulfanylpropyl)-9-(pyridin-3-ylmethyl)-3,9-diazaspiro[5.5]undecan-5-yl]methanol
CID 74237404
4-(methoxymethyl)-2,8-bis(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 131678234
7-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane;bis(2,2,2-trifluoroacetic acid)
CID 118745558
[3,3-dimethyl-1-(pyridin-3-ylmethyl)piperidin-4-yl]methanol
CID 117024926
4-(methoxymethyl)-2-methyl-8-(pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 91910522
[2-benzyl-8-(1H-pyrrolo[2,3-b]pyridin-3-ylmethyl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 176970640
2-(pyridin-3-ylmethyl)-7-pyrimidin-2-yl-2,7-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 171697210
3-[(4,4-difluoropiperidin-1-yl)methyl]pyridine
CID 117007748
4-pyridin-3-yl-1-(pyridin-3-ylmethyl)piperidin-4-ol
CID 126470029
(4S)-4-(methoxymethyl)-8-(pyridin-3-ylmethyl)-2-(thiophen-3-ylmethyl)-2,8-diazaspiro[4.5]decane
CID 124796710

Frequently Asked Questions

What is the IUPAC name of [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921973) is [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(c2ncccn2)CC12CCN(Cc1cccnc1)CC2.
What is the InChIKey of [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is FCHTVKSRGJTWEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O/c25-14-17-13-24(18-21-7-2-8-22-18)15-19(17)4-9-23(10-5-19)12-16-3-1-6-20-11-16/h1-3,6-8,11,17,25H,4-5,9-10,12-15H2.
What are the key properties of [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 339.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(pyridin-3-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).