N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

C33H26N4O2 — CID 46854745

IUPACN-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)c1ccccc1
InChIInChI=1S/C33H26N4O2/c38-32(26-14-8-3-9-15-26)37-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-33(29)36-22-35-31/h1-19,22H,20-21H2,(H,37,38)(H,34,35,36)
InChIKeyPUASGQFTULISAK-UHFFFAOYSA-N
MW510.60 g/mol
LogP7.46
Rot. Bonds8

About N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide

N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (PubChem CID 46854745) has the molecular formula C33H26N4O2 and a molecular weight of 510.60 g/mol. Its IUPAC name is N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.

Molecular Properties

Compound NameN-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
PubChem CID46854745
Molecular FormulaC33H26N4O2
Molecular Weight510.60 g/mol
Exact Mass510.21
IUPAC NameN-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide
SMILESO=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)c1ccccc1
InChIInChI=1S/C33H26N4O2/c38-32(26-14-8-3-9-15-26)37-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-33(29)36-22-35-31/h1-19,22H,20-21H2,(H,37,38)(H,34,35,36)
InChIKeyPUASGQFTULISAK-UHFFFAOYSA-N
XLogP7.46
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.60
LogP ≤ 57.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The IUPAC name of N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide (CID 46854745) is N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide.
What is the SMILES notation for N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The canonical SMILES for N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is O=C(Nc1ccc(CCNc2ncnc3oc(-c4ccccc4)c(-c4ccccc4)c23)cc1)c1ccccc1.
What is the InChIKey of N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
The InChIKey is PUASGQFTULISAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N4O2/c38-32(26-14-8-3-9-15-26)37-27-18-16-23(17-19-27)20-21-34-31-29-28(24-10-4-1-5-11-24)30(25-12-6-2-7-13-25)39-33(29)36-22-35-31/h1-19,22H,20-21H2,(H,37,38)(H,34,35,36).
What are the key properties of N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide?
N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide has a molecular weight of 510.60 g/mol, XLogP of 7.46, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]benzamide is sourced from PubChem (CID 46854745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).