2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol

C17H18ClN5O2 — CID 58023038

IUPAC2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(N2C[C@H]3CC2CN3)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C17H18ClN5O2/c18-9-1-2-13-12(5-9)14-15(25-13)16(22-17(21-14)19-3-4-24)23-8-10-6-11(23)7-20-10/h1-2,5,10-11,20,24H,3-4,6-8H2,(H,19,21,22)/t10-,11?/m1/s1
InChIKeyFCZZXKOWCKZWOM-NFJWQWPMSA-N
MW359.82 g/mol
LogP1.98
Rot. Bonds4

About 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol

2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol (PubChem CID 58023038) has the molecular formula C17H18ClN5O2 and a molecular weight of 359.82 g/mol. Its IUPAC name is 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol
PubChem CID58023038
Molecular FormulaC17H18ClN5O2
Molecular Weight359.82 g/mol
Exact Mass359.11
IUPAC Name2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol
SMILESOCCNc1nc(N2C[C@H]3CC2CN3)c2oc3ccc(Cl)cc3c2n1
InChIInChI=1S/C17H18ClN5O2/c18-9-1-2-13-12(5-9)14-15(25-13)16(22-17(21-14)19-3-4-24)23-8-10-6-11(23)7-20-10/h1-2,5,10-11,20,24H,3-4,6-8H2,(H,19,21,22)/t10-,11?/m1/s1
InChIKeyFCZZXKOWCKZWOM-NFJWQWPMSA-N
XLogP1.98
TPSA86.45 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.82
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol 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 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol?
The IUPAC name of 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol (CID 58023038) is 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol is OCCNc1nc(N2C[C@H]3CC2CN3)c2oc3ccc(Cl)cc3c2n1.
What is the InChIKey of 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol?
The InChIKey is FCZZXKOWCKZWOM-NFJWQWPMSA-N. The full InChI is InChI=1S/C17H18ClN5O2/c18-9-1-2-13-12(5-9)14-15(25-13)16(22-17(21-14)19-3-4-24)23-8-10-6-11(23)7-20-10/h1-2,5,10-11,20,24H,3-4,6-8H2,(H,19,21,22)/t10-,11?/m1/s1.
What are the key properties of 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol?
2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol has a molecular weight of 359.82 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[8-chloro-4-[(4R)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]amino]ethanol is sourced from PubChem (CID 58023038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).