1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol

C26H21N3O2 — CID 141267478

IUPAC1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
SMILESOC(Cc1ccccc1)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C26H21N3O2/c30-21(16-18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)
InChIKeyUYUHLRIHWGQYDT-UHFFFAOYSA-N
MW407.47 g/mol
LogP5.53
Rot. Bonds6

About 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol

1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol (PubChem CID 141267478) has the molecular formula C26H21N3O2 and a molecular weight of 407.47 g/mol. Its IUPAC name is 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol.

Molecular Properties

Compound Name1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
PubChem CID141267478
Molecular FormulaC26H21N3O2
Molecular Weight407.47 g/mol
Exact Mass407.16
IUPAC Name1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
SMILESOC(Cc1ccccc1)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C26H21N3O2/c30-21(16-18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29)
InChIKeyUYUHLRIHWGQYDT-UHFFFAOYSA-N
XLogP5.53
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.47
LogP ≤ 55.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 46855198
N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 11236121
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556
3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol
CID 11545358
6-[4-(2-aminoethoxy)phenyl]-5-phenyl-N-propan-2-ylfuro[2,3-d]pyrimidin-4-amine
CID 143163817
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
4-[4-(1,3-dithiolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenol
CID 71470769
N-(1,3-oxathiolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 11646785
N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315
(2S)-2-[[5-(3-nitrophenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 46855360
(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol
CID 173143389
6-[[5-[4-(ethylamino)phenyl]-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hexanoic acid
CID 58016772

Frequently Asked Questions

What is the IUPAC name of 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The IUPAC name of 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol (CID 141267478) is 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol.
What is the SMILES notation for 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The canonical SMILES for 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol is OC(Cc1ccccc1)Nc1ncnc2oc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
The InChIKey is UYUHLRIHWGQYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O2/c30-21(16-18-10-4-1-5-11-18)29-25-23-22(19-12-6-2-7-13-19)24(20-14-8-3-9-15-20)31-26(23)28-17-27-25/h1-15,17,21,30H,16H2,(H,27,28,29).
What are the key properties of 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol?
1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol has a molecular weight of 407.47 g/mol, XLogP of 5.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol is sourced from PubChem (CID 141267478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).