2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide

C17H20N4O2 — CID 133272030

IUPAC2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H20N4O2/c1-4-9-21(10-14(22)20(2)3)17-16-15(18-11-19-17)12-7-5-6-8-13(12)23-16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyZISOWJYFJNBHDU-UHFFFAOYSA-N
MW312.37 g/mol
LogP2.68
Rot. Bonds5

About 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide

2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide (PubChem CID 133272030) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide
PubChem CID133272030
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC Name2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide
SMILESCCCN(CC(=O)N(C)C)c1ncnc2c1oc1ccccc12
InChIInChI=1S/C17H20N4O2/c1-4-9-21(10-14(22)20(2)3)17-16-15(18-11-19-17)12-7-5-6-8-13(12)23-16/h5-8,11H,4,9-10H2,1-3H3
InChIKeyZISOWJYFJNBHDU-UHFFFAOYSA-N
XLogP2.68
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide 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-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide?
The IUPAC name of 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide (CID 133272030) is 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide?
The canonical SMILES for 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide is CCCN(CC(=O)N(C)C)c1ncnc2c1oc1ccccc12.
What is the InChIKey of 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide?
The InChIKey is ZISOWJYFJNBHDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-9-21(10-14(22)20(2)3)17-16-15(18-11-19-17)12-7-5-6-8-13(12)23-16/h5-8,11H,4,9-10H2,1-3H3.
What are the key properties of 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide?
2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide has a molecular weight of 312.37 g/mol, XLogP of 2.68, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1]benzofuro[3,2-d]pyrimidin-4-yl(propyl)amino]-N,N-dimethylacetamide is sourced from PubChem (CID 133272030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).