8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

C16H24N4O — CID 97449517

IUPAC8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN([C@@H]4CCOC4)CC3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-6-17-15(18-7-1)20-10-5-16(13-20)3-8-19(9-4-16)14-2-11-21-12-14/h1,6-7,14H,2-5,8-13H2/t14-/m1/s1
InChIKeyRFSHLCHHKRIFFE-CQSZACIVSA-N
MW288.39 g/mol
LogP1.56
Rot. Bonds2

About 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane

8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (PubChem CID 97449517) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
PubChem CID97449517
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane
SMILESc1cnc(N2CCC3(CCN([C@@H]4CCOC4)CC3)C2)nc1
InChIInChI=1S/C16H24N4O/c1-6-17-15(18-7-1)20-10-5-16(13-20)3-8-19(9-4-16)14-2-11-21-12-14/h1,6-7,14H,2-5,8-13H2/t14-/m1/s1
InChIKeyRFSHLCHHKRIFFE-CQSZACIVSA-N
XLogP1.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2,8-di(pyrimidin-2-yl)-2,8-diazaspiro[4.5]decane
CID 97369995
2-[[(3S)-oxolan-3-yl]methyl]-7-pyrimidin-2-yl-2,7-diazaspiro[3.4]octane
CID 97392847
(5R)-2-[(3S)-oxolan-3-yl]-7-pyridin-2-yl-2,7-diazaspiro[4.5]decane
CID 98777895
oxan-4-yl-(2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl)methanone
CID 97370007
9-(oxolan-3-ylmethyl)-2-pyrimidin-2-yl-2,9-diazaspiro[5.5]undecane
CID 118745309
(5S)-2,10-di(pyrimidin-2-yl)-7-oxa-2,10-diazaspiro[4.6]undecane
CID 97385039
6,6-difluoro-9-(oxan-4-yl)-2-pyrimidin-2-yl-2,9-diazaspiro[4.5]decane
CID 131655840
1'-(oxolan-3-yl)-1-pyrimidin-2-ylspiro[2H-indole-3,4'-piperidine]
CID 118738931
(3aS,8aR)-5-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-3,3a,4,6,7,8-hexahydro-1H-pyrrolo[3,4-c]azepine-8a-carboxylic acid
CID 124521080
oxolan-3-yl-(9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 131641140
8-(oxan-4-ylmethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane;bis(2,2,2-trifluoroacetic acid)
CID 118746900
(5R)-7-(5-fluoropyrimidin-2-yl)-2-(oxan-4-yl)-2,7-diazaspiro[4.5]decane
CID 69492853

Frequently Asked Questions

What is the IUPAC name of 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane (CID 97449517) is 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is c1cnc(N2CCC3(CCN([C@@H]4CCOC4)CC3)C2)nc1.
What is the InChIKey of 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
The InChIKey is RFSHLCHHKRIFFE-CQSZACIVSA-N. The full InChI is InChI=1S/C16H24N4O/c1-6-17-15(18-7-1)20-10-5-16(13-20)3-8-19(9-4-16)14-2-11-21-12-14/h1,6-7,14H,2-5,8-13H2/t14-/m1/s1.
What are the key properties of 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane?
8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane has a molecular weight of 288.39 g/mol, XLogP of 1.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(3R)-oxolan-3-yl]-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97449517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).