[8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

C19H26N4OS — CID 91921922

IUPAC[8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1ccsc1CN1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C19H26N4OS/c1-15-3-9-25-17(15)11-22-7-4-19(5-8-22)13-23(10-16(19)12-24)18-2-6-20-14-21-18/h2-3,6,9,14,16,24H,4-5,7-8,10-13H2,1H3
InChIKeyLMYGCJPZRYKXJG-UHFFFAOYSA-N
MW358.51 g/mol
LogP2.56
Rot. Bonds4

About [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol

[8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (PubChem CID 91921922) has the molecular formula C19H26N4OS and a molecular weight of 358.51 g/mol. Its IUPAC name is [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.

Molecular Properties

Compound Name[8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
PubChem CID91921922
Molecular FormulaC19H26N4OS
Molecular Weight358.51 g/mol
Exact Mass358.18
IUPAC Name[8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol
SMILESCc1ccsc1CN1CCC2(CC1)CN(c1ccncn1)CC2CO
InChIInChI=1S/C19H26N4OS/c1-15-3-9-25-17(15)11-22-7-4-19(5-8-22)13-23(10-16(19)12-24)18-2-6-20-14-21-18/h2-3,6,9,14,16,24H,4-5,7-8,10-13H2,1H3
InChIKeyLMYGCJPZRYKXJG-UHFFFAOYSA-N
XLogP2.56
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The IUPAC name of [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol (CID 91921922) is [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol.
What is the SMILES notation for [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The canonical SMILES for [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is Cc1ccsc1CN1CCC2(CC1)CN(c1ccncn1)CC2CO.
What is the InChIKey of [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
The InChIKey is LMYGCJPZRYKXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4OS/c1-15-3-9-25-17(15)11-22-7-4-19(5-8-22)13-23(10-16(19)12-24)18-2-6-20-14-21-18/h2-3,6,9,14,16,24H,4-5,7-8,10-13H2,1H3.
What are the key properties of [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol?
[8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol has a molecular weight of 358.51 g/mol, XLogP of 2.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [8-[(3-methylthiophen-2-yl)methyl]-2-pyrimidin-4-yl-2,8-diazaspiro[4.5]decan-4-yl]methanol is sourced from PubChem (CID 91921922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).