tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate

C30H33N3O4 — CID 67160804

IUPACtert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCC(CC(=O)OC(C)(C)C)C4)c23)cc1
InChIInChI=1S/C30H33N3O4/c1-30(2,3)37-24(34)17-19-10-13-22(16-19)33-28-26-25(20-11-14-23(35-4)15-12-20)27(21-8-6-5-7-9-21)36-29(26)32-18-31-28/h5-9,11-12,14-15,18-19,22H,10,13,16-17H2,1-4H3,(H,31,32,33)
InChIKeyAUNSPXNYYDHXIH-UHFFFAOYSA-N
MW499.61 g/mol
LogP6.88
Rot. Bonds7

About tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate

tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate (PubChem CID 67160804) has the molecular formula C30H33N3O4 and a molecular weight of 499.61 g/mol. Its IUPAC name is tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate
PubChem CID67160804
Molecular FormulaC30H33N3O4
Molecular Weight499.61 g/mol
Exact Mass499.25
IUPAC Nametert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCC(CC(=O)OC(C)(C)C)C4)c23)cc1
InChIInChI=1S/C30H33N3O4/c1-30(2,3)37-24(34)17-19-10-13-22(16-19)33-28-26-25(20-11-14-23(35-4)15-12-20)27(21-8-6-5-7-9-21)36-29(26)32-18-31-28/h5-9,11-12,14-15,18-19,22H,10,13,16-17H2,1-4H3,(H,31,32,33)
InChIKeyAUNSPXNYYDHXIH-UHFFFAOYSA-N
XLogP6.88
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.61
LogP ≤ 56.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate with MolForge

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Related Compounds

tert-butyl 2-[(1R)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]oxyacetate
CID 70870495
tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 58280098
tert-butyl 2-[(1S,3S)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]methyl]cyclopentyl]oxyacetate
CID 70870525
N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 86211262
tert-butyl 2-[(1S,3S)-3-[[5-(4-ethenylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]oxyacetate
CID 58280117
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
5-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidin-1-yl]pent-1-en-2-ol
CID 89049958
2-[(1R,3S)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]methyl]cyclopentyl]oxyacetic acid
CID 71177036
7-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]heptan-2-one
CID 143503812
(E)-6-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hex-2-enoic acid
CID 58016813
6-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hex-2-enoic acid
CID 123756905
N-cyclohexyl-6-(3,4-dimethoxyphenyl)-5-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 90963338

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate?
The IUPAC name of tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate (CID 67160804) is tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate.
What is the SMILES notation for tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate?
The canonical SMILES for tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCC(CC(=O)OC(C)(C)C)C4)c23)cc1.
What is the InChIKey of tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate?
The InChIKey is AUNSPXNYYDHXIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N3O4/c1-30(2,3)37-24(34)17-19-10-13-22(16-19)33-28-26-25(20-11-14-23(35-4)15-12-20)27(21-8-6-5-7-9-21)36-29(26)32-18-31-28/h5-9,11-12,14-15,18-19,22H,10,13,16-17H2,1-4H3,(H,31,32,33).
What are the key properties of tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate?
tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate has a molecular weight of 499.61 g/mol, XLogP of 6.88, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate is sourced from PubChem (CID 67160804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).