6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine

C16H14ClN3O — CID 114735030

IUPAC6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cc3cccc(Cl)c3o2)nc(C2CC2)n1
InChIInChI=1S/C16H14ClN3O/c1-18-14-8-12(19-16(20-14)9-5-6-9)13-7-10-3-2-4-11(17)15(10)21-13/h2-4,7-9H,5-6H2,1H3,(H,18,19,20)
InChIKeyKIFRWWPNROCART-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.46
Rot. Bonds3

About 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine

6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine (PubChem CID 114735030) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
PubChem CID114735030
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC Name6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2cc3cccc(Cl)c3o2)nc(C2CC2)n1
InChIInChI=1S/C16H14ClN3O/c1-18-14-8-12(19-16(20-14)9-5-6-9)13-7-10-3-2-4-11(17)15(10)21-13/h2-4,7-9H,5-6H2,1H3,(H,18,19,20)
InChIKeyKIFRWWPNROCART-UHFFFAOYSA-N
XLogP4.46
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-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 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine (CID 114735030) is 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine is CNc1cc(-c2cc3cccc(Cl)c3o2)nc(C2CC2)n1.
What is the InChIKey of 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
The InChIKey is KIFRWWPNROCART-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-18-14-8-12(19-16(20-14)9-5-6-9)13-7-10-3-2-4-11(17)15(10)21-13/h2-4,7-9H,5-6H2,1H3,(H,18,19,20).
What are the key properties of 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine?
6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine has a molecular weight of 299.76 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(7-chloro-1-benzofuran-2-yl)-2-cyclopropyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 114735030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).