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

C18H28N4OS — CID 91910449

IUPAC[2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ccncn2)CC12CCN(C1CCSCC1)CC2
InChIInChI=1S/C18H28N4OS/c23-12-15-11-22(17-1-6-19-14-20-17)13-18(15)4-7-21(8-5-18)16-2-9-24-10-3-16/h1,6,14-16,23H,2-5,7-13H2
InChIKeyDQIIFDMIILOADN-UHFFFAOYSA-N
MW348.52 g/mol
LogP1.88
Rot. Bonds3

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

[2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91910449) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91910449
Molecular FormulaC18H28N4OS
Molecular Weight348.52 g/mol
Exact Mass348.20
IUPAC Name[2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ccncn2)CC12CCN(C1CCSCC1)CC2
InChIInChI=1S/C18H28N4OS/c23-12-15-11-22(17-1-6-19-14-20-17)13-18(15)4-7-21(8-5-18)16-2-9-24-10-3-16/h1,6,14-16,23H,2-5,7-13H2
InChIKeyDQIIFDMIILOADN-UHFFFAOYSA-N
XLogP1.88
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.52
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R*,4R*)-1-[2-(methylthio)pyrimidin-4-yl]-4-(piperidin-1-ylmethyl)pyrrolidin-3-yl]methanol
CID 70782339
[2-(2-pyrimidinyl)-8-tetrahydro-2H-thiopyran-4-yl-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910471
[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
[8-(1-Ethylpiperidin-4-yl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 91921930
[(3S)-1-[2-(dimethylamino)pyrimidin-4-yl]-3-propan-2-ylpiperidin-3-yl]methanol
CID 164640178
(3-Cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol
CID 86284072
[8-(1-Isobutyl-4-piperidyl)-2-(4-pyrimidinyl)-2,8-diazaspiro[4.5]dec-4-yl]methanol
CID 91910450
1-{4-[4-(Hydroxymethyl)-2-(2-pyrimidinyl)-2,8-diazaspiro[4.5]dec-8-yl]piperidino}-1-ethanone
CID 91910472
1-[4-(Hydroxymethyl)-2-pyrimidin-2-yl-2,8-diazaspiro[4.5]decan-8-yl]-2-methylsulfanylethanone
CID 91921954
[(4S)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99765821
[(4R)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
CID 99765822

Frequently Asked Questions

What is the IUPAC name of [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91910449) is [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(c2ccncn2)CC12CCN(C1CCSCC1)CC2.
What is the InChIKey of [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is DQIIFDMIILOADN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4OS/c23-12-15-11-22(17-1-6-19-14-20-17)13-18(15)4-7-21(8-5-18)16-2-9-24-10-3-16/h1,6,14-16,23H,2-5,7-13H2.
What are the key properties of [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 348.52 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-pyrimidin-4-yl-8-(thian-4-yl)-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91910449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).