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

C13H11N3O2 — CID 5329801

IUPAC5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2coc3ncnc(N)c23)cc1
InChIInChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(14)15-7-16-13/h2-7H,1H3,(H2,14,15,16)
InChIKeyQGHMHWPBFHABJY-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.48
Rot. Bonds2

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

5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (PubChem CID 5329801) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
PubChem CID5329801
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC Name5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2coc3ncnc(N)c23)cc1
InChIInChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(14)15-7-16-13/h2-7H,1H3,(H2,14,15,16)
InChIKeyQGHMHWPBFHABJY-UHFFFAOYSA-N
XLogP2.48
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine (CID 5329801) is 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is COc1ccc(-c2coc3ncnc(N)c23)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
The InChIKey is QGHMHWPBFHABJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-17-9-4-2-8(3-5-9)10-6-18-13-11(10)12(14)15-7-16-13/h2-7H,1H3,(H2,14,15,16).
What are the key properties of 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine?
5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine has a molecular weight of 241.25 g/mol, XLogP of 2.48, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 5329801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).