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

C13H20N4O — CID 90488145

IUPAC(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol
SMILESOCC1CN(c2ncccn2)CC12CCNCC2
InChIInChI=1S/C13H20N4O/c18-9-11-8-17(12-15-4-1-5-16-12)10-13(11)2-6-14-7-3-13/h1,4-5,11,14,18H,2-3,6-10H2
InChIKeyKEQKAVGYDBSSFO-UHFFFAOYSA-N
MW248.33 g/mol
LogP0.27
Rot. Bonds2

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

(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol (PubChem CID 90488145) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol.

Molecular Properties

Compound Name(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol
PubChem CID90488145
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol
SMILESOCC1CN(c2ncccn2)CC12CCNCC2
InChIInChI=1S/C13H20N4O/c18-9-11-8-17(12-15-4-1-5-16-12)10-13(11)2-6-14-7-3-13/h1,4-5,11,14,18H,2-3,6-10H2
InChIKeyKEQKAVGYDBSSFO-UHFFFAOYSA-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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Frequently Asked Questions

What is the IUPAC name of (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
The IUPAC name of (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol (CID 90488145) is (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol.
What is the SMILES notation for (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
The canonical SMILES for (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol is OCC1CN(c2ncccn2)CC12CCNCC2.
What is the InChIKey of (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
The InChIKey is KEQKAVGYDBSSFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c18-9-11-8-17(12-15-4-1-5-16-12)10-13(11)2-6-14-7-3-13/h1,4-5,11,14,18H,2-3,6-10H2.
What are the key properties of (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol?
(2-pyrimidin-2-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 (2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-4-yl)methanol is sourced from PubChem (CID 90488145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).