3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine

C19H18N4O2 — CID 69205644

IUPAC3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C2=Nc3occc3C(N)N2c2cccc(N)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-24-15-7-5-12(6-8-15)18-22-19-16(9-10-25-19)17(21)23(18)14-4-2-3-13(20)11-14/h2-11,17H,20-21H2,1H3
InChIKeyHTTJTTBMEAXWRA-UHFFFAOYSA-N
MW334.38 g/mol
LogP3.43
Rot. Bonds3

About 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine

3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine (PubChem CID 69205644) has the molecular formula C19H18N4O2 and a molecular weight of 334.38 g/mol. Its IUPAC name is 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine
PubChem CID69205644
Molecular FormulaC19H18N4O2
Molecular Weight334.38 g/mol
Exact Mass334.14
IUPAC Name3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(C2=Nc3occc3C(N)N2c2cccc(N)c2)cc1
InChIInChI=1S/C19H18N4O2/c1-24-15-7-5-12(6-8-15)18-22-19-16(9-10-25-19)17(21)23(18)14-4-2-3-13(20)11-14/h2-11,17H,20-21H2,1H3
InChIKeyHTTJTTBMEAXWRA-UHFFFAOYSA-N
XLogP3.43
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine (CID 69205644) is 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine is COc1ccc(C2=Nc3occc3C(N)N2c2cccc(N)c2)cc1.
What is the InChIKey of 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine?
The InChIKey is HTTJTTBMEAXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2/c1-24-15-7-5-12(6-8-15)18-22-19-16(9-10-25-19)17(21)23(18)14-4-2-3-13(20)11-14/h2-11,17H,20-21H2,1H3.
What are the key properties of 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine?
3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine has a molecular weight of 334.38 g/mol, XLogP of 3.43, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-2-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 69205644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).