4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

C14H10Cl2N4O — CID 102514681

IUPAC4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2[nH]ccc2n1
InChIInChI=1S/C14H10Cl2N4O/c15-7-5-8(16)13-6(2-4-21-13)10(7)12-11-9(1-3-18-11)19-14(17)20-12/h1,3,5,18H,2,4H2,(H2,17,19,20)
InChIKeyXUFZLTDTGOOIMO-UHFFFAOYSA-N
MW321.17 g/mol
LogP3.45
Rot. Bonds1

About 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine

4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (PubChem CID 102514681) has the molecular formula C14H10Cl2N4O and a molecular weight of 321.17 g/mol. Its IUPAC name is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
PubChem CID102514681
Molecular FormulaC14H10Cl2N4O
Molecular Weight321.17 g/mol
Exact Mass320.02
IUPAC Name4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine
SMILESNc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2[nH]ccc2n1
InChIInChI=1S/C14H10Cl2N4O/c15-7-5-8(16)13-6(2-4-21-13)10(7)12-11-9(1-3-18-11)19-14(17)20-12/h1,3,5,18H,2,4H2,(H2,17,19,20)
InChIKeyXUFZLTDTGOOIMO-UHFFFAOYSA-N
XLogP3.45
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.17
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[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 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine (CID 102514681) is 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is Nc1nc(-c2c(Cl)cc(Cl)c3c2CCO3)c2[nH]ccc2n1.
What is the InChIKey of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
The InChIKey is XUFZLTDTGOOIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2N4O/c15-7-5-8(16)13-6(2-4-21-13)10(7)12-11-9(1-3-18-11)19-14(17)20-12/h1,3,5,18H,2,4H2,(H2,17,19,20).
What are the key properties of 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine?
4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine has a molecular weight of 321.17 g/mol, XLogP of 3.45, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,7-dichloro-2,3-dihydro-1-benzofuran-4-yl)-5H-pyrrolo[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 102514681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).