[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride

C19H32Cl2N4O — CID 154901230

IUPAC[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride
SMILESCl.Cl.OCC1CNCCC12CCN(c1nccc(C3CCCC3)n1)CC2
InChIInChI=1S/C19H30N4O.2ClH/c24-14-16-13-20-10-6-19(16)7-11-23(12-8-19)18-21-9-5-17(22-18)15-3-1-2-4-15;;/h5,9,15-16,20,24H,1-4,6-8,10-14H2;2*1H
InChIKeyANRKTQDQDAICCR-UHFFFAOYSA-N
MW403.40 g/mol
LogP3.17
Rot. Bonds3

About [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride

[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride (PubChem CID 154901230) has the molecular formula C19H32Cl2N4O and a molecular weight of 403.40 g/mol. Its IUPAC name is [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride.

Molecular Properties

Compound Name[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride
PubChem CID154901230
Molecular FormulaC19H32Cl2N4O
Molecular Weight403.40 g/mol
Exact Mass402.20
IUPAC Name[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride
SMILESCl.Cl.OCC1CNCCC12CCN(c1nccc(C3CCCC3)n1)CC2
InChIInChI=1S/C19H30N4O.2ClH/c24-14-16-13-20-10-6-19(16)7-11-23(12-8-19)18-21-9-5-17(22-18)15-3-1-2-4-15;;/h5,9,15-16,20,24H,1-4,6-8,10-14H2;2*1H
InChIKeyANRKTQDQDAICCR-UHFFFAOYSA-N
XLogP3.17
TPSA61.28 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride?
The IUPAC name of [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride (CID 154901230) is [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride.
What is the SMILES notation for [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride?
The canonical SMILES for [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride is Cl.Cl.OCC1CNCCC12CCN(c1nccc(C3CCCC3)n1)CC2.
What is the InChIKey of [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride?
The InChIKey is ANRKTQDQDAICCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O.2ClH/c24-14-16-13-20-10-6-19(16)7-11-23(12-8-19)18-21-9-5-17(22-18)15-3-1-2-4-15;;/h5,9,15-16,20,24H,1-4,6-8,10-14H2;2*1H.
What are the key properties of [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride?
[3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride has a molecular weight of 403.40 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-cyclopentylpyrimidin-2-yl)-3,9-diazaspiro[5.5]undecan-11-yl]methanol;dihydrochloride is sourced from PubChem (CID 154901230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).