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

C20H18N4O3 — CID 69207884

IUPAC2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide
SMILESCOc1ccc(N2C(c3ccccc3C(N)=O)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H18N4O3/c1-26-13-8-6-12(7-9-13)24-17(21)16-10-11-27-20(16)23-19(24)15-5-3-2-4-14(15)18(22)25/h2-11,17H,21H2,1H3,(H2,22,25)
InChIKeyINXVEOIDKWGLQK-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.94
Rot. Bonds4

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

2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide (PubChem CID 69207884) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide.

Molecular Properties

Compound Name2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide
PubChem CID69207884
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide
SMILESCOc1ccc(N2C(c3ccccc3C(N)=O)=Nc3occc3C2N)cc1
InChIInChI=1S/C20H18N4O3/c1-26-13-8-6-12(7-9-13)24-17(21)16-10-11-27-20(16)23-19(24)15-5-3-2-4-14(15)18(22)25/h2-11,17H,21H2,1H3,(H2,22,25)
InChIKeyINXVEOIDKWGLQK-UHFFFAOYSA-N
XLogP2.94
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide?
The IUPAC name of 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide (CID 69207884) is 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide.
What is the SMILES notation for 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide?
The canonical SMILES for 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide is COc1ccc(N2C(c3ccccc3C(N)=O)=Nc3occc3C2N)cc1.
What is the InChIKey of 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide?
The InChIKey is INXVEOIDKWGLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-26-13-8-6-12(7-9-13)24-17(21)16-10-11-27-20(16)23-19(24)15-5-3-2-4-14(15)18(22)25/h2-11,17H,21H2,1H3,(H2,22,25).
What are the key properties of 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide?
2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 2.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-amino-3-(4-methoxyphenyl)-4H-furo[2,3-d]pyrimidin-2-yl]benzamide is sourced from PubChem (CID 69207884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).