[[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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Related Compounds

(E)-4-(dimethylamino)-N-[3-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]-6-phenylfuro[2,3-d]pyrimidin-5-yl]phenyl]but-2-enamide
CID 46212971
2-[5,6-Bis-(4-methoxy-phenyl)-furo[2,3-d]pyrimidin-4-ylamino]-ethanol
CID 2059510
3-[(5,6-Diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-1-ol
CID 1583275
2-((5,6-Diphenylfuro(2,3-D)pyrimidin-4-YL)amino)ethanol
CID 1587957
N-phenethyl-5-phenyl-6-(4-(2-(pyrrolidin-1-yl)ethoxy)phenyl)furo[2,3-d]pyrimidin-4-amine
CID 11540659
1-(4-(4-Amino-6-(4-methoxyphenyl)furo(2,3-d)pyrimidin-5-yl)phenyl)-3-(2-fluoro-5-(trifluoromethyl)phenyl)urea
CID 5326956
5,6-diphenyl-N-(2-piperazin-1-ylethyl)furo[2,3-d]pyrimidin-4-amine
CID 17756743
5,6-Diphenylfuro[2,3-d]pyrimidin-4-amine
CID 290208
Furo[2,3-d]pyrimidine deriv. 7d
CID 5329806
Furo[2,3-d]pyrimidine deriv. 7e
CID 5329807
5-[(1e)-2-(2-Methoxyphenyl)prop-1-En-1-Yl]furo[2,3-D]pyrimidine-2,4-Diamine
CID 6477203
N-[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]hexanamide
CID 6539738

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).