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

C13H20N4O — CID 99765821

IUPAC[(4S)-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-/m0/s1
InChIKeyOXOFRGHFBZNMFO-NSHDSACASA-N
MW248.33 g/mol
LogP0.27
Rot. Bonds2

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

[(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 99765821) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID99765821
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC Name[(4S)-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-/m0/s1
InChIKeyOXOFRGHFBZNMFO-NSHDSACASA-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

Analyze [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 99765821) is [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [(4S)-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 [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is OXOFRGHFBZNMFO-NSHDSACASA-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-/m0/s1.
What are the key properties of [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[(4S)-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 [(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 99765821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).