3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol

C15H24N4O2 — CID 70704715

IUPAC3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C15H24N4O2/c20-12-13(21)11-19-8-1-3-15(19)4-9-18(10-5-15)14-16-6-2-7-17-14/h2,6-7,13,20-21H,1,3-5,8-12H2
InChIKeyQBYUNOVTKVDFHS-UHFFFAOYSA-N
MW292.38 g/mol
LogP0.26
Rot. Bonds4

About 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol

3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol (PubChem CID 70704715) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
PubChem CID70704715
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
SMILESOCC(O)CN1CCCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C15H24N4O2/c20-12-13(21)11-19-8-1-3-15(19)4-9-18(10-5-15)14-16-6-2-7-17-14/h2,6-7,13,20-21H,1,3-5,8-12H2
InChIKeyQBYUNOVTKVDFHS-UHFFFAOYSA-N
XLogP0.26
TPSA72.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 50.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-3-(8-quinolin-6-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol
CID 95868082
2-methyl-3-[(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)methyl]quinoxaline
CID 70779960
1-[(3-tert-butyl-1H-pyrazol-5-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 70752815
1-[(1-propylimidazol-2-yl)methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 70782561
1-bromo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 112561188
1-[[5-[(2R)-oxan-2-yl]furan-2-yl]methyl]-8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decane
CID 95871623
1-(4-methylphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 82215753
1-cyclopentyl-3-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)propan-2-ol
CID 154754238
1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 21279253
(2R)-1-(1-azaspiro[3.3]heptan-1-yl)butan-2-ol
CID 131019050
1-cyclohexyl-2-(4-pyrimidin-2-ylpiperazin-1-yl)ethanol
CID 104752458
2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995

Frequently Asked Questions

What is the IUPAC name of 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
The IUPAC name of 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol (CID 70704715) is 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol is OCC(O)CN1CCCC12CCN(c1ncccn1)CC2.
What is the InChIKey of 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
The InChIKey is QBYUNOVTKVDFHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c20-12-13(21)11-19-8-1-3-15(19)4-9-18(10-5-15)14-16-6-2-7-17-14/h2,6-7,13,20-21H,1,3-5,8-12H2.
What are the key properties of 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol?
3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol has a molecular weight of 292.38 g/mol, XLogP of 0.26, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(8-pyrimidin-2-yl-1,8-diazaspiro[4.5]decan-1-yl)propane-1,2-diol is sourced from PubChem (CID 70704715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).