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

C20H17FN4O3 — CID 69205500

IUPAC5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(N2C(c3ccc(F)c(C(N)=O)c3)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H17FN4O3/c1-27-13-5-3-12(4-6-13)25-17(22)14-8-9-28-20(14)24-19(25)11-2-7-16(21)15(10-11)18(23)26/h2-10,17H,22H2,1H3,(H2,23,26)
InChIKeyPBRIAIAJVBGRMY-UHFFFAOYSA-N
MW380.38 g/mol
LogP3.08
Rot. Bonds4

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

5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide (PubChem CID 69205500) has the molecular formula C20H17FN4O3 and a molecular weight of 380.38 g/mol. Its IUPAC name is 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide.

Molecular Properties

Compound Name5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide
PubChem CID69205500
Molecular FormulaC20H17FN4O3
Molecular Weight380.38 g/mol
Exact Mass380.13
IUPAC Name5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide
SMILESCOc1ccc(N2C(c3ccc(F)c(C(N)=O)c3)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H17FN4O3/c1-27-13-5-3-12(4-6-13)25-17(22)14-8-9-28-20(14)24-19(25)11-2-7-16(21)15(10-11)18(23)26/h2-10,17H,22H2,1H3,(H2,23,26)
InChIKeyPBRIAIAJVBGRMY-UHFFFAOYSA-N
XLogP3.08
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide?
The IUPAC name of 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide (CID 69205500) is 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide.
What is the SMILES notation for 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide?
The canonical SMILES for 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide is COc1ccc(N2C(c3ccc(F)c(C(N)=O)c3)=Nc3occc3C2N)cc1.
What is the InChIKey of 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide?
The InChIKey is PBRIAIAJVBGRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O3/c1-27-13-5-3-12(4-6-13)25-17(22)14-8-9-28-20(14)24-19(25)11-2-7-16(21)15(10-11)18(23)26/h2-10,17H,22H2,1H3,(H2,23,26).
What are the key properties of 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide?
5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide has a molecular weight of 380.38 g/mol, XLogP of 3.08, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]-2-fluorobenzamide is sourced from PubChem (CID 69205500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).