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

C20H17N3O3 — CID 838889

IUPAC5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H17N3O3/c1-24-14-7-3-12(4-8-14)16-17-19(21)22-11-23-20(17)26-18(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,21,22,23)
InChIKeySLIYJTVHXLYNJL-UHFFFAOYSA-N
MW347.37 g/mol
LogP4.16
Rot. Bonds4

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

5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 838889) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID838889
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H17N3O3/c1-24-14-7-3-12(4-8-14)16-17-19(21)22-11-23-20(17)26-18(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,21,22,23)
InChIKeySLIYJTVHXLYNJL-UHFFFAOYSA-N
XLogP4.16
TPSA83.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (CID 838889) is 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2oc3ncnc(N)c3c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is SLIYJTVHXLYNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-24-14-7-3-12(4-8-14)16-17-19(21)22-11-23-20(17)26-18(16)13-5-9-15(25-2)10-6-13/h3-11H,1-2H3,(H2,21,22,23).
What are the key properties of 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 347.37 g/mol, XLogP of 4.16, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 838889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).