8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

C16H18ClN5O — CID 24826268

IUPAC8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C16H18ClN5O/c1-2-19-10-5-6-22(8-10)15-14-13(20-16(18)21-15)11-7-9(17)3-4-12(11)23-14/h3-4,7,10,19H,2,5-6,8H2,1H3,(H2,18,20,21)/t10-/m1/s1
InChIKeyHUSSNJJBKCPVDI-SNVBAGLBSA-N
MW331.81 g/mol
LogP2.80
Rot. Bonds3

About 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine

8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (PubChem CID 24826268) has the molecular formula C16H18ClN5O and a molecular weight of 331.81 g/mol. Its IUPAC name is 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
PubChem CID24826268
Molecular FormulaC16H18ClN5O
Molecular Weight331.81 g/mol
Exact Mass331.12
IUPAC Name8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine
SMILESCCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1
InChIInChI=1S/C16H18ClN5O/c1-2-19-10-5-6-22(8-10)15-14-13(20-16(18)21-15)11-7-9(17)3-4-12(11)23-14/h3-4,7,10,19H,2,5-6,8H2,1H3,(H2,18,20,21)/t10-/m1/s1
InChIKeyHUSSNJJBKCPVDI-SNVBAGLBSA-N
XLogP2.80
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.81
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine 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 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The IUPAC name of 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine (CID 24826268) is 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is CCN[C@@H]1CCN(c2nc(N)nc3c2oc2ccc(Cl)cc23)C1.
What is the InChIKey of 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
The InChIKey is HUSSNJJBKCPVDI-SNVBAGLBSA-N. The full InChI is InChI=1S/C16H18ClN5O/c1-2-19-10-5-6-22(8-10)15-14-13(20-16(18)21-15)11-7-9(17)3-4-12(11)23-14/h3-4,7,10,19H,2,5-6,8H2,1H3,(H2,18,20,21)/t10-/m1/s1.
What are the key properties of 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine?
8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine has a molecular weight of 331.81 g/mol, XLogP of 2.80, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-[(3R)-3-(ethylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 24826268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).