9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

C19H30N4O — CID 97450991

IUPAC9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCOC3(CCN(CC4CCCCC4)CC3)C2)nc1
InChIInChI=1S/C19H30N4O/c1-2-5-17(6-3-1)15-22-11-7-19(8-12-22)16-23(13-14-24-19)18-20-9-4-10-21-18/h4,9-10,17H,1-3,5-8,11-16H2
InChIKeyWYUSBXKBQLZMMS-UHFFFAOYSA-N
MW330.48 g/mol
LogP2.73
Rot. Bonds3

About 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane

9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (PubChem CID 97450991) has the molecular formula C19H30N4O and a molecular weight of 330.48 g/mol. Its IUPAC name is 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
PubChem CID97450991
Molecular FormulaC19H30N4O
Molecular Weight330.48 g/mol
Exact Mass330.24
IUPAC Name9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane
SMILESc1cnc(N2CCOC3(CCN(CC4CCCCC4)CC3)C2)nc1
InChIInChI=1S/C19H30N4O/c1-2-5-17(6-3-1)15-22-11-7-19(8-12-22)16-23(13-14-24-19)18-20-9-4-10-21-18/h4,9-10,17H,1-3,5-8,11-16H2
InChIKeyWYUSBXKBQLZMMS-UHFFFAOYSA-N
XLogP2.73
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.48
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The IUPAC name of 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane (CID 97450991) is 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane.
What is the SMILES notation for 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The canonical SMILES for 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is c1cnc(N2CCOC3(CCN(CC4CCCCC4)CC3)C2)nc1.
What is the InChIKey of 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
The InChIKey is WYUSBXKBQLZMMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O/c1-2-5-17(6-3-1)15-22-11-7-19(8-12-22)16-23(13-14-24-19)18-20-9-4-10-21-18/h4,9-10,17H,1-3,5-8,11-16H2.
What are the key properties of 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane?
9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane has a molecular weight of 330.48 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(cyclohexylmethyl)-4-pyrimidin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecane is sourced from PubChem (CID 97450991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).