9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine

C25H21N3O2 — CID 123194377

IUPAC9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine
SMILESCOc1ccc(COc2cccc3cc4c(-c5ccccc5)nc(N)[nH]c-4c23)cc1
InChIInChI=1S/C25H21N3O2/c1-29-19-12-10-16(11-13-19)15-30-21-9-5-8-18-14-20-23(17-6-3-2-4-7-17)27-25(26)28-24(20)22(18)21/h2-14H,15H2,1H3,(H3,26,27,28)
InChIKeyOQJHKOYBXIUIKI-UHFFFAOYSA-N
MW395.46 g/mol
LogP5.50
Rot. Bonds5

About 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine

9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine (PubChem CID 123194377) has the molecular formula C25H21N3O2 and a molecular weight of 395.46 g/mol. Its IUPAC name is 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine
PubChem CID123194377
Molecular FormulaC25H21N3O2
Molecular Weight395.46 g/mol
Exact Mass395.16
IUPAC Name9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine
SMILESCOc1ccc(COc2cccc3cc4c(-c5ccccc5)nc(N)[nH]c-4c23)cc1
InChIInChI=1S/C25H21N3O2/c1-29-19-12-10-16(11-13-19)15-30-21-9-5-8-18-14-20-23(17-6-3-2-4-7-17)27-25(26)28-24(20)22(18)21/h2-14H,15H2,1H3,(H3,26,27,28)
InChIKeyOQJHKOYBXIUIKI-UHFFFAOYSA-N
XLogP5.50
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.46
LogP ≤ 55.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine?
The IUPAC name of 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine (CID 123194377) is 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine.
What is the SMILES notation for 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine?
The canonical SMILES for 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine is COc1ccc(COc2cccc3cc4c(-c5ccccc5)nc(N)[nH]c-4c23)cc1.
What is the InChIKey of 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine?
The InChIKey is OQJHKOYBXIUIKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N3O2/c1-29-19-12-10-16(11-13-19)15-30-21-9-5-8-18-14-20-23(17-6-3-2-4-7-17)27-25(26)28-24(20)22(18)21/h2-14H,15H2,1H3,(H3,26,27,28).
What are the key properties of 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine?
9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine has a molecular weight of 395.46 g/mol, XLogP of 5.50, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(4-methoxyphenyl)methoxy]-4-phenyl-1H-indeno[1,2-d]pyrimidin-2-amine is sourced from PubChem (CID 123194377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).