6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine

C25H19N3O2 — CID 10271893

IUPAC6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H19N3O2/c1-29-20-13-11-19(12-14-20)23-21(22-24(26)27-15-28-25(22)30-23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,26,27,28)
InChIKeyAVQOBGWWRSKCOG-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.81
Rot. Bonds4

About 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine

6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 10271893) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID10271893
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Name6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(-c3ccccc3)cc2)cc1
InChIInChI=1S/C25H19N3O2/c1-29-20-13-11-19(12-14-20)23-21(22-24(26)27-15-28-25(22)30-23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,26,27,28)
InChIKeyAVQOBGWWRSKCOG-UHFFFAOYSA-N
XLogP5.81
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine (CID 10271893) is 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(-c3ccccc3)cc2)cc1.
What is the InChIKey of 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is AVQOBGWWRSKCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-29-20-13-11-19(12-14-20)23-21(22-24(26)27-15-28-25(22)30-23)18-9-7-17(8-10-18)16-5-3-2-4-6-16/h2-15H,1H3,(H2,26,27,28).
What are the key properties of 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine?
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 393.45 g/mol, XLogP of 5.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10271893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).