2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine

C23H16ClN3O — CID 2005489

IUPAC2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C23H16ClN3O/c1-14-6-12-17(13-7-14)25-23-21-20(18-4-2-3-5-19(18)28-21)26-22(27-23)15-8-10-16(24)11-9-15/h2-13H,1H3,(H,25,26,27)
InChIKeyXWENXKUWJSYESH-UHFFFAOYSA-N
MW385.85 g/mol
LogP6.75
Rot. Bonds3

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

2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (PubChem CID 2005489) has the molecular formula C23H16ClN3O and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
PubChem CID2005489
Molecular FormulaC23H16ClN3O
Molecular Weight385.85 g/mol
Exact Mass385.10
IUPAC Name2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine
SMILESCc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)cc1
InChIInChI=1S/C23H16ClN3O/c1-14-6-12-17(13-7-14)25-23-21-20(18-4-2-3-5-19(18)28-21)26-22(27-23)15-8-10-16(24)11-9-15/h2-13H,1H3,(H,25,26,27)
InChIKeyXWENXKUWJSYESH-UHFFFAOYSA-N
XLogP6.75
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.85
LogP ≤ 56.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-N-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-amine
CID 169094083
N-(2,4-dichlorophenyl)-2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 1394504
2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]ethanol
CID 2024503
N-(3-methylbutyl)-2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-amine
CID 3769904
2-phenyl-4-[4-[4-[4-(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489508
4-phenyl-2-[4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489670
2-phenyl-4-[4-[4-(4-phenyl-[1]benzofuro[3,2-d]pyrimidin-2-yl)phenyl]phenyl]-[1]benzofuro[3,2-d]pyrimidine
CID 122489550
2-(4-fluorophenyl)-N-(4-methylphenyl)quinazolin-4-amine
CID 135058525
N-(4-chlorophenyl)-4-(4-methylphenyl)phthalazin-1-amine
CID 1386625
2-[4-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]phenyl]-4-phenyl-[1]benzofuro[3,2-d]pyrimidine
CID 122628602
(2R)-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]propanoate
CID 7177417
(2R,3S)-3-methyl-2-[(2-phenyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)amino]pentanoic acid
CID 2068766

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine (CID 2005489) is 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is Cc1ccc(Nc2nc(-c3ccc(Cl)cc3)nc3c2oc2ccccc23)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
The InChIKey is XWENXKUWJSYESH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClN3O/c1-14-6-12-17(13-7-14)25-23-21-20(18-4-2-3-5-19(18)28-21)26-22(27-23)15-8-10-16(24)11-9-15/h2-13H,1H3,(H,25,26,27).
What are the key properties of 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine?
2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine has a molecular weight of 385.85 g/mol, XLogP of 6.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-methylphenyl)-[1]benzofuro[3,2-d]pyrimidin-4-amine is sourced from PubChem (CID 2005489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).