[5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol

C24H34N4O2 — CID 163169666

IUPAC[5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol
SMILESCc1nc(C2CCCC2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(CO)o2)n1
InChIInChI=1S/C24H34N4O2/c1-16-26-23(17-4-2-3-5-17)11-24(27-16)22-14-28-9-8-18(22)10-19(28)12-25-13-20-6-7-21(15-29)30-20/h6-7,11,17-19,22,25,29H,2-5,8-10,12-15H2,1H3/t18-,19+,22+/m0/s1
InChIKeyUVNJXTGUXJULMO-NNMXDRDESA-N
MW410.56 g/mol
LogP3.50
Rot. Bonds7

About [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol

[5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol (PubChem CID 163169666) has the molecular formula C24H34N4O2 and a molecular weight of 410.56 g/mol. Its IUPAC name is [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol.

Molecular Properties

Compound Name[5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol
PubChem CID163169666
Molecular FormulaC24H34N4O2
Molecular Weight410.56 g/mol
Exact Mass410.27
IUPAC Name[5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol
SMILESCc1nc(C2CCCC2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(CO)o2)n1
InChIInChI=1S/C24H34N4O2/c1-16-26-23(17-4-2-3-5-17)11-24(27-16)22-14-28-9-8-18(22)10-19(28)12-25-13-20-6-7-21(15-29)30-20/h6-7,11,17-19,22,25,29H,2-5,8-10,12-15H2,1H3/t18-,19+,22+/m0/s1
InChIKeyUVNJXTGUXJULMO-NNMXDRDESA-N
XLogP3.50
TPSA74.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.56
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol 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 [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol?
The IUPAC name of [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol (CID 163169666) is [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol.
What is the SMILES notation for [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol?
The canonical SMILES for [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol is Cc1nc(C2CCCC2)cc([C@@H]2CN3CC[C@H]2C[C@@H]3CNCc2ccc(CO)o2)n1.
What is the InChIKey of [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol?
The InChIKey is UVNJXTGUXJULMO-NNMXDRDESA-N. The full InChI is InChI=1S/C24H34N4O2/c1-16-26-23(17-4-2-3-5-17)11-24(27-16)22-14-28-9-8-18(22)10-19(28)12-25-13-20-6-7-21(15-29)30-20/h6-7,11,17-19,22,25,29H,2-5,8-10,12-15H2,1H3/t18-,19+,22+/m0/s1.
What are the key properties of [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol?
[5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol has a molecular weight of 410.56 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[[[(2R,4S,5S)-5-(6-cyclopentyl-2-methylpyrimidin-4-yl)-1-azabicyclo[2.2.2]octan-2-yl]methylamino]methyl]furan-2-yl]methanol is sourced from PubChem (CID 163169666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).