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

C13H20N4O — CID 99765822

IUPAC[(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOC[C@H]1CN(c2ccncn2)CC12CCNCC2
InChIInChI=1S/C13H20N4O/c18-8-11-7-17(12-1-4-15-10-16-12)9-13(11)2-5-14-6-3-13/h1,4,10-11,14,18H,2-3,5-9H2/t11-/m1/s1
InChIKeyOXOFRGHFBZNMFO-LLVKDONJSA-N
MW248.33 g/mol
LogP0.27
Rot. Bonds2

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

[(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 99765822) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID99765822
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOC[C@H]1CN(c2ccncn2)CC12CCNCC2
InChIInChI=1S/C13H20N4O/c18-8-11-7-17(12-1-4-15-10-16-12)9-13(11)2-5-14-6-3-13/h1,4,10-11,14,18H,2-3,5-9H2/t11-/m1/s1
InChIKeyOXOFRGHFBZNMFO-LLVKDONJSA-N
XLogP0.27
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(1-(((2-Amino-4-pyrimidinyl)amino)methyl)cyclobutyl)methanol
CID 385194
[2-(Pyrimidin-2-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 90488145
(3R*,4R*)-3-cyclopropyl-4-methyl-1-[4-(methylamino)-2-pyrimidinyl]-3-pyrrolidinol
CID 72858871
[(3R*,4R*)-1-(2-amino-4-pyrimidinyl)-4-(1-piperidinylmethyl)-3-pyrrolidinyl]methanol
CID 72890329
3-(Methoxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
CID 118739425
[1-(2-Amino-4-pyrimidinyl)-3-(3-methyl-2-buten-1-yl)-3-piperidinyl]methanol
CID 72901817
2-[{[(3R*,4R*)-1-(4-amino-2-pyrimidinyl)-4-(hydroxymethyl)-3-pyrrolidinyl]methyl}(ethyl)amino]ethanol
CID 72934826
[2-(Pyrimidin-4-YL)-2,8-diazaspiro[4.5]decan-4-YL]methanol
CID 91910433
[8-(Cyclohexylmethyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910444
[2-(4-pyrimidinyl)-8-tetrahydro-2H-thiopyran-4-yl-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910449
[8-(1-Ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921930
(1-(Pyrimidin-2-yl)piperidin-3-yl)methanol
CID 6456539

Frequently Asked Questions

What is the IUPAC name of [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 99765822) is [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is OC[C@H]1CN(c2ccncn2)CC12CCNCC2.
What is the InChIKey of [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is OXOFRGHFBZNMFO-LLVKDONJSA-N. The full InChI is InChI=1S/C13H20N4O/c18-8-11-7-17(12-1-4-15-10-16-12)9-13(11)2-5-14-6-3-13/h1,4,10-11,14,18H,2-3,5-9H2/t11-/m1/s1.
What are the key properties of [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 248.33 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 99765822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).