N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

C17H11Cl2N3O — CID 1394504

IUPACN-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Cl)cc2Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C17H11Cl2N3O/c1-9-20-15-11-4-2-3-5-14(11)23-16(15)17(21-9)22-13-7-6-10(18)8-12(13)19/h2-8H,1H3,(H,20,21,22)
InChIKeyWYRVAOVXBQZECM-UHFFFAOYSA-N
MW344.20 g/mol
LogP5.73
Rot. Bonds2

About N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine

N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 1394504) has the molecular formula C17H11Cl2N3O and a molecular weight of 344.20 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID1394504
Molecular FormulaC17H11Cl2N3O
Molecular Weight344.20 g/mol
Exact Mass343.03
IUPAC NameN-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Cl)cc2Cl)c2oc3ccccc3c2n1
InChIInChI=1S/C17H11Cl2N3O/c1-9-20-15-11-4-2-3-5-14(11)23-16(15)17(21-9)22-13-7-6-10(18)8-12(13)19/h2-8H,1H3,(H,20,21,22)
InChIKeyWYRVAOVXBQZECM-UHFFFAOYSA-N
XLogP5.73
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.20
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-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-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 1394504) is N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1nc(Nc2ccc(Cl)cc2Cl)c2oc3ccccc3c2n1.
What is the InChIKey of N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is WYRVAOVXBQZECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl2N3O/c1-9-20-15-11-4-2-3-5-14(11)23-16(15)17(21-9)22-13-7-6-10(18)8-12(13)19/h2-8H,1H3,(H,20,21,22).
What are the key properties of N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine?
N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 344.20 g/mol, XLogP of 5.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 1394504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).