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

C20H32N4O — CID 91910444

IUPAC[8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ccncn2)CC12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C20H32N4O/c25-14-18-13-24(19-6-9-21-16-22-19)15-20(18)7-10-23(11-8-20)12-17-4-2-1-3-5-17/h6,9,16-18,25H,1-5,7-8,10-15H2
InChIKeyLTUOMZPUCYUACF-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.57
Rot. Bonds4

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

[8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91910444) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91910444
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name[8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESOCC1CN(c2ccncn2)CC12CCN(CC1CCCCC1)CC2
InChIInChI=1S/C20H32N4O/c25-14-18-13-24(19-6-9-21-16-22-19)15-20(18)7-10-23(11-8-20)12-17-4-2-1-3-5-17/h6,9,16-18,25H,1-5,7-8,10-15H2
InChIKeyLTUOMZPUCYUACF-UHFFFAOYSA-N
XLogP2.57
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91910444) is [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is OCC1CN(c2ccncn2)CC12CCN(CC1CCCCC1)CC2.
What is the InChIKey of [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is LTUOMZPUCYUACF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c25-14-18-13-24(19-6-9-21-16-22-19)15-20(18)7-10-23(11-8-20)12-17-4-2-1-3-5-17/h6,9,16-18,25H,1-5,7-8,10-15H2.
What are the key properties of [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 344.50 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(cyclohexylmethyl)-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91910444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).