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

C27H23N3O3 — CID 59322556

IUPAC(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)cc1
InChIInChI=1S/C27H23N3O3/c1-32-21-14-12-19(13-15-21)23-24-26(30-22(16-31)18-8-4-2-5-9-18)28-17-29-27(24)33-25(23)20-10-6-3-7-11-20/h2-15,17,22,31H,16H2,1H3,(H,28,29,30)/t22-/m1/s1
InChIKeyROGGGOPOXMMEMW-JOCHJYFZSA-N
MW437.50 g/mol
LogP5.71
Rot. Bonds7

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

(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol (PubChem CID 59322556) has the molecular formula C27H23N3O3 and a molecular weight of 437.50 g/mol. Its IUPAC name is (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol.

Molecular Properties

Compound Name(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
PubChem CID59322556
Molecular FormulaC27H23N3O3
Molecular Weight437.50 g/mol
Exact Mass437.17
IUPAC Name(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)cc1
InChIInChI=1S/C27H23N3O3/c1-32-21-14-12-19(13-15-21)23-24-26(30-22(16-31)18-8-4-2-5-9-18)28-17-29-27(24)33-25(23)20-10-6-3-7-11-20/h2-15,17,22,31H,16H2,1H3,(H,28,29,30)/t22-/m1/s1
InChIKeyROGGGOPOXMMEMW-JOCHJYFZSA-N
XLogP5.71
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500437.50
LogP ≤ 55.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The IUPAC name of (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol (CID 59322556) is (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol.
What is the SMILES notation for (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The canonical SMILES for (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(N[C@H](CO)c4ccccc4)c23)cc1.
What is the InChIKey of (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
The InChIKey is ROGGGOPOXMMEMW-JOCHJYFZSA-N. The full InChI is InChI=1S/C27H23N3O3/c1-32-21-14-12-19(13-15-21)23-24-26(30-22(16-31)18-8-4-2-5-9-18)28-17-29-27(24)33-25(23)20-10-6-3-7-11-20/h2-15,17,22,31H,16H2,1H3,(H,28,29,30)/t22-/m1/s1.
What are the key properties of (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol?
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol has a molecular weight of 437.50 g/mol, XLogP of 5.71, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol is sourced from PubChem (CID 59322556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).