4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol

C19H15N3O3 — CID 142215831

IUPAC4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H15N3O3/c1-24-14-8-4-12(5-9-14)17-15(11-2-6-13(23)7-3-11)16-18(20)21-10-22-19(16)25-17/h2-10,23H,1H3,(H2,20,21,22)
InChIKeyQXNVPJAEVGFZLF-UHFFFAOYSA-N
MW333.35 g/mol
LogP3.85
Rot. Bonds3

About 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol

4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol (PubChem CID 142215831) has the molecular formula C19H15N3O3 and a molecular weight of 333.35 g/mol. Its IUPAC name is 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol.

Molecular Properties

Compound Name4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol
PubChem CID142215831
Molecular FormulaC19H15N3O3
Molecular Weight333.35 g/mol
Exact Mass333.11
IUPAC Name4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(O)cc2)cc1
InChIInChI=1S/C19H15N3O3/c1-24-14-8-4-12(5-9-14)17-15(11-2-6-13(23)7-3-11)16-18(20)21-10-22-19(16)25-17/h2-10,23H,1H3,(H2,20,21,22)
InChIKeyQXNVPJAEVGFZLF-UHFFFAOYSA-N
XLogP3.85
TPSA94.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol?
The IUPAC name of 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol (CID 142215831) is 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol.
What is the SMILES notation for 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol?
The canonical SMILES for 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol is COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol?
The InChIKey is QXNVPJAEVGFZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3O3/c1-24-14-8-4-12(5-9-14)17-15(11-2-6-13(23)7-3-11)16-18(20)21-10-22-19(16)25-17/h2-10,23H,1H3,(H2,20,21,22).
What are the key properties of 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol?
4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol has a molecular weight of 333.35 g/mol, XLogP of 3.85, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-amino-6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-5-yl]phenol is sourced from PubChem (CID 142215831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).