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

C24H17N3O2 — CID 11545358

IUPAC3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)c1
InChIInChI=1S/C24H17N3O2/c28-19-13-7-12-18(14-19)27-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)26-15-25-23/h1-15,28H,(H,25,26,27)
InChIKeyJYTPSSGTMNEGCI-UHFFFAOYSA-N
MW379.42 g/mol
LogP6.01
Rot. Bonds4

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

3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol (PubChem CID 11545358) has the molecular formula C24H17N3O2 and a molecular weight of 379.42 g/mol. Its IUPAC name is 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol.

Molecular Properties

Compound Name3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol
PubChem CID11545358
Molecular FormulaC24H17N3O2
Molecular Weight379.42 g/mol
Exact Mass379.13
IUPAC Name3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol
SMILESOc1cccc(Nc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)c1
InChIInChI=1S/C24H17N3O2/c28-19-13-7-12-18(14-19)27-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)26-15-25-23/h1-15,28H,(H,25,26,27)
InChIKeyJYTPSSGTMNEGCI-UHFFFAOYSA-N
XLogP6.01
TPSA71.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.42
LogP ≤ 56.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(4-bromophenyl)-5-methylfuro[2,3-d]pyrimidin-4-yl]amino]phenol
CID 11567421
3-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]phenyl]prop-2-enoic acid
CID 67160365
sodium 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]phenoxy]acetate
CID 67160041
3-[(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 21009748
N'-(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)ethane-1,2-diamine
CID 11236121
(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 46855198
1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol
CID 141267478
4-[4-(1,3-dithiolan-2-ylmethylamino)-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenol
CID 71470769
2-[3-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]phenoxy]propanoic acid
CID 67307092
5-(4-methoxyphenyl)-N-phenyl-6-phenylfuro[2,3-d]pyrimidin-4-amine;methyl acetate;yttrium
CID 58280141
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
N-(oxolan-2-ylmethyl)-5,6-diphenylfuro[2,3-d]pyrimidin-4-amine
CID 58603315

Frequently Asked Questions

What is the IUPAC name of 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol?
The IUPAC name of 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol (CID 11545358) is 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol.
What is the SMILES notation for 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol?
The canonical SMILES for 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol is Oc1cccc(Nc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)c1.
What is the InChIKey of 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol?
The InChIKey is JYTPSSGTMNEGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N3O2/c28-19-13-7-12-18(14-19)27-23-21-20(16-8-3-1-4-9-16)22(17-10-5-2-6-11-17)29-24(21)26-15-25-23/h1-15,28H,(H,25,26,27).
What are the key properties of 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol?
3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol has a molecular weight of 379.42 g/mol, XLogP of 6.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]phenol is sourced from PubChem (CID 11545358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).