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

C20H17N3O3 — CID 58016781

IUPAC[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCO)c23)cc1
InChIInChI=1S/C20H17N3O3/c1-25-15-9-7-13(8-10-15)16-17-19(23-12-24)21-11-22-20(17)26-18(16)14-5-3-2-4-6-14/h2-11,24H,12H2,1H3,(H,21,22,23)
InChIKeyWAQGGRZDJOMFEF-UHFFFAOYSA-N
MW347.37 g/mol
LogP3.93
Rot. Bonds5

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

[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol (PubChem CID 58016781) has the molecular formula C20H17N3O3 and a molecular weight of 347.37 g/mol. Its IUPAC name is [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol.

Molecular Properties

Compound Name[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
PubChem CID58016781
Molecular FormulaC20H17N3O3
Molecular Weight347.37 g/mol
Exact Mass347.13
IUPAC Name[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCO)c23)cc1
InChIInChI=1S/C20H17N3O3/c1-25-15-9-7-13(8-10-15)16-17-19(23-12-24)21-11-22-20(17)26-18(16)14-5-3-2-4-6-14/h2-11,24H,12H2,1H3,(H,21,22,23)
InChIKeyWAQGGRZDJOMFEF-UHFFFAOYSA-N
XLogP3.93
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol?
The IUPAC name of [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol (CID 58016781) is [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol.
What is the SMILES notation for [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol?
The canonical SMILES for [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NCO)c23)cc1.
What is the InChIKey of [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol?
The InChIKey is WAQGGRZDJOMFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3/c1-25-15-9-7-13(8-10-15)16-17-19(23-12-24)21-11-22-20(17)26-18(16)14-5-3-2-4-6-14/h2-11,24H,12H2,1H3,(H,21,22,23).
What are the key properties of [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol?
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol has a molecular weight of 347.37 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol is sourced from PubChem (CID 58016781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).