4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile

C16H15N5O — CID 46885181

IUPAC4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile
SMILESCNC1CCN(c2ncnc3c2oc2ccc(C#N)cc23)C1
InChIInChI=1S/C16H15N5O/c1-18-11-4-5-21(8-11)16-15-14(19-9-20-16)12-6-10(7-17)2-3-13(12)22-15/h2-3,6,9,11,18H,4-5,8H2,1H3
InChIKeyJIHTXJHMWMURNR-UHFFFAOYSA-N
MW293.33 g/mol
LogP2.05
Rot. Bonds2

About 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile

4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile (PubChem CID 46885181) has the molecular formula C16H15N5O and a molecular weight of 293.33 g/mol. Its IUPAC name is 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile.

Molecular Properties

Compound Name4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile
PubChem CID46885181
Molecular FormulaC16H15N5O
Molecular Weight293.33 g/mol
Exact Mass293.13
IUPAC Name4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile
SMILESCNC1CCN(c2ncnc3c2oc2ccc(C#N)cc23)C1
InChIInChI=1S/C16H15N5O/c1-18-11-4-5-21(8-11)16-15-14(19-9-20-16)12-6-10(7-17)2-3-13(12)22-15/h2-3,6,9,11,18H,4-5,8H2,1H3
InChIKeyJIHTXJHMWMURNR-UHFFFAOYSA-N
XLogP2.05
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile 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 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile?
The IUPAC name of 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile (CID 46885181) is 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile.
What is the SMILES notation for 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile?
The canonical SMILES for 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile is CNC1CCN(c2ncnc3c2oc2ccc(C#N)cc23)C1.
What is the InChIKey of 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile?
The InChIKey is JIHTXJHMWMURNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N5O/c1-18-11-4-5-21(8-11)16-15-14(19-9-20-16)12-6-10(7-17)2-3-13(12)22-15/h2-3,6,9,11,18H,4-5,8H2,1H3.
What are the key properties of 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile?
4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile has a molecular weight of 293.33 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(methylamino)pyrrolidin-1-yl]-[1]benzofuro[3,2-d]pyrimidine-8-carbonitrile is sourced from PubChem (CID 46885181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).