N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine

C18H11Cl2N3O — CID 11494140

IUPACN-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1
InChIInChI=1S/C18H11Cl2N3O/c19-12-6-4-11(5-7-12)16-9-15-17(21-10-22-18(15)24-16)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23)
InChIKeyDTIXTWHWCYKQFE-UHFFFAOYSA-N
MW356.21 g/mol
LogP5.94
Rot. Bonds3

About N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine

N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 11494140) has the molecular formula C18H11Cl2N3O and a molecular weight of 356.21 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID11494140
Molecular FormulaC18H11Cl2N3O
Molecular Weight356.21 g/mol
Exact Mass355.03
IUPAC NameN-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine
SMILESClc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1
InChIInChI=1S/C18H11Cl2N3O/c19-12-6-4-11(5-7-12)16-9-15-17(21-10-22-18(15)24-16)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23)
InChIKeyDTIXTWHWCYKQFE-UHFFFAOYSA-N
XLogP5.94
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500356.21
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-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 N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine (CID 11494140) is N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine is Clc1ccc(-c2cc3c(Nc4cccc(Cl)c4)ncnc3o2)cc1.
What is the InChIKey of N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is DTIXTWHWCYKQFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11Cl2N3O/c19-12-6-4-11(5-7-12)16-9-15-17(21-10-22-18(15)24-16)23-14-3-1-2-13(20)8-14/h1-10H,(H,21,22,23).
What are the key properties of N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine?
N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 356.21 g/mol, XLogP of 5.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(4-chlorophenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 11494140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).