1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one

C28H24N4O2 — CID 158688608

IUPAC1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(CCNc2ncnc3oc(-c4ccccn4)cc23)cc1
InChIInChI=1S/C28H24N4O2/c33-23(16-21-6-2-1-3-7-21)17-22-11-9-20(10-12-22)13-15-30-27-24-18-26(25-8-4-5-14-29-25)34-28(24)32-19-31-27/h1-12,14,18-19H,13,15-17H2,(H,30,31,32)
InChIKeyVAMBJMMCTLOFQZ-UHFFFAOYSA-N
MW448.53 g/mol
LogP5.29
Rot. Bonds9

About 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one

1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one (PubChem CID 158688608) has the molecular formula C28H24N4O2 and a molecular weight of 448.53 g/mol. Its IUPAC name is 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one.

Molecular Properties

Compound Name1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one
PubChem CID158688608
Molecular FormulaC28H24N4O2
Molecular Weight448.53 g/mol
Exact Mass448.19
IUPAC Name1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one
SMILESO=C(Cc1ccccc1)Cc1ccc(CCNc2ncnc3oc(-c4ccccn4)cc23)cc1
InChIInChI=1S/C28H24N4O2/c33-23(16-21-6-2-1-3-7-21)17-22-11-9-20(10-12-22)13-15-30-27-24-18-26(25-8-4-5-14-29-25)34-28(24)32-19-31-27/h1-12,14,18-19H,13,15-17H2,(H,30,31,32)
InChIKeyVAMBJMMCTLOFQZ-UHFFFAOYSA-N
XLogP5.29
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.53
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one with MolForge

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Related Compounds

6-(3-aminophenyl)-N-(2-phenylethyl)furo[2,3-d]pyrimidin-4-amine
CID 69414842
methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 25123737
2-ethyl-N-(2-phenylethyl)thieno[3,2-c]pyridin-4-amine
CID 141140835
1-[4-(2-phenylethylamino)thieno[3,2-c]pyridin-2-yl]ethanone
CID 141140837
1-(4-fluorophenyl)-3-[4-(6-phenylfuro[2,3-d]pyrimidin-4-yl)oxyphenyl]propan-2-one
CID 58272364
3-[2-(thieno[2,3-d]pyrimidin-4-ylamino)ethyl]benzoic acid
CID 63795475
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655
1-(3-fluorophenyl)-3-[4-[2-[(2-phenyl-[1,3]oxazolo[5,4-d]pyrimidin-7-yl)amino]ethyl]phenyl]urea
CID 59268672
4-[2-(quinazolin-4-ylamino)ethyl]phenol
CID 24742057
methyl 5-[4-[2-[(7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]-4-oxopentanoate
CID 159094483
ethyl 4-(2-phenylethylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 20947898
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048

Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one?
The IUPAC name of 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one (CID 158688608) is 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one.
What is the SMILES notation for 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one?
The canonical SMILES for 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one is O=C(Cc1ccccc1)Cc1ccc(CCNc2ncnc3oc(-c4ccccn4)cc23)cc1.
What is the InChIKey of 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one?
The InChIKey is VAMBJMMCTLOFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N4O2/c33-23(16-21-6-2-1-3-7-21)17-22-11-9-20(10-12-22)13-15-30-27-24-18-26(25-8-4-5-14-29-25)34-28(24)32-19-31-27/h1-12,14,18-19H,13,15-17H2,(H,30,31,32).
What are the key properties of 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one?
1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one has a molecular weight of 448.53 g/mol, XLogP of 5.29, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[4-[2-[(6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl)amino]ethyl]phenyl]propan-2-one is sourced from PubChem (CID 158688608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).