(3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol

C20H32N4O — CID 86284072

IUPAC(3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol
SMILESOCC1CN(C2CCCCC2)CCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C20H32N4O/c25-16-17-15-24(18-5-2-1-3-6-18)14-9-20(17)7-12-23(13-8-20)19-21-10-4-11-22-19/h4,10-11,17-18,25H,1-3,5-9,12-16H2
InChIKeyBGMXJEPLJLCAEX-UHFFFAOYSA-N
MW344.50 g/mol
LogP2.71
Rot. Bonds3

About (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol

(3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol (PubChem CID 86284072) has the molecular formula C20H32N4O and a molecular weight of 344.50 g/mol. Its IUPAC name is (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol.

Molecular Properties

Compound Name(3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol
PubChem CID86284072
Molecular FormulaC20H32N4O
Molecular Weight344.50 g/mol
Exact Mass344.26
IUPAC Name(3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol
SMILESOCC1CN(C2CCCCC2)CCC12CCN(c1ncccn1)CC2
InChIInChI=1S/C20H32N4O/c25-16-17-15-24(18-5-2-1-3-6-18)14-9-20(17)7-12-23(13-8-20)19-21-10-4-11-22-19/h4,10-11,17-18,25H,1-3,5-9,12-16H2
InChIKeyBGMXJEPLJLCAEX-UHFFFAOYSA-N
XLogP2.71
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.50
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol?
The IUPAC name of (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol (CID 86284072) is (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol.
What is the SMILES notation for (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol?
The canonical SMILES for (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol is OCC1CN(C2CCCCC2)CCC12CCN(c1ncccn1)CC2.
What is the InChIKey of (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol?
The InChIKey is BGMXJEPLJLCAEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N4O/c25-16-17-15-24(18-5-2-1-3-6-18)14-9-20(17)7-12-23(13-8-20)19-21-10-4-11-22-19/h4,10-11,17-18,25H,1-3,5-9,12-16H2.
What are the key properties of (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol?
(3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol has a molecular weight of 344.50 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclohexyl-9-pyrimidin-2-yl-3,9-diazaspiro[5.5]undecan-5-yl)methanol is sourced from PubChem (CID 86284072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).