tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate

C29H32N4O4 — CID 58280098

IUPACtert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCN(C(=O)OC(C)(C)C)C4)c23)cc1
InChIInChI=1S/C29H32N4O4/c1-29(2,3)37-28(34)33-16-8-11-21(17-33)32-26-24-23(19-12-14-22(35-4)15-13-19)25(20-9-6-5-7-10-20)36-27(24)31-18-30-26/h5-7,9-10,12-15,18,21H,8,11,16-17H2,1-4H3,(H,30,31,32)
InChIKeyJRJCMADRNOJEQE-UHFFFAOYSA-N
MW500.60 g/mol
LogP6.38
Rot. Bonds5

About tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate

tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate (PubChem CID 58280098) has the molecular formula C29H32N4O4 and a molecular weight of 500.60 g/mol. Its IUPAC name is tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
PubChem CID58280098
Molecular FormulaC29H32N4O4
Molecular Weight500.60 g/mol
Exact Mass500.24
IUPAC Nametert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
SMILESCOc1ccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCN(C(=O)OC(C)(C)C)C4)c23)cc1
InChIInChI=1S/C29H32N4O4/c1-29(2,3)37-28(34)33-16-8-11-21(17-33)32-26-24-23(19-12-14-22(35-4)15-13-19)25(20-9-6-5-7-10-20)36-27(24)31-18-30-26/h5-7,9-10,12-15,18,21H,8,11,16-17H2,1-4H3,(H,30,31,32)
InChIKeyJRJCMADRNOJEQE-UHFFFAOYSA-N
XLogP6.38
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.60
LogP ≤ 56.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl 2-[3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]acetate
CID 67160804
tert-butyl 2-[(1R)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclopentyl]oxyacetate
CID 70870495
N-cycloheptyl-5,6-bis(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-amine
CID 86211262
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
tert-butyl 2-[(1S,3S)-3-[[5-(4-ethenylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]cyclohexyl]oxyacetate
CID 58280117
tert-butyl 3-[(6-chloro-5-methoxypyrimidin-4-yl)amino]piperidine-1-carboxylate
CID 42609078
tert-butyl (3R)-3-anilinopiperidine-1-carboxylate
CID 34179257
tert-butyl (3R)-3-[[5-(2-hydroxy-2-methylpropyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 118116276
7-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]heptan-2-one
CID 143503812
tert-butyl 2-[(1S,3S)-3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]methyl]cyclopentyl]oxyacetate
CID 70870525
(E)-6-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]hex-2-enoic acid
CID 58016813
tert-butyl (3S)-3-[(3-chloroquinoxalin-2-yl)amino]piperidine-1-carboxylate
CID 71630538

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The IUPAC name of tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate (CID 58280098) is tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate is COc1ccc(-c2c(-c3ccccc3)oc3ncnc(NC4CCCN(C(=O)OC(C)(C)C)C4)c23)cc1.
What is the InChIKey of tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
The InChIKey is JRJCMADRNOJEQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H32N4O4/c1-29(2,3)37-28(34)33-16-8-11-21(17-33)32-26-24-23(19-12-14-22(35-4)15-13-19)25(20-9-6-5-7-10-20)36-27(24)31-18-30-26/h5-7,9-10,12-15,18,21H,8,11,16-17H2,1-4H3,(H,30,31,32).
What are the key properties of tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate?
tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate has a molecular weight of 500.60 g/mol, XLogP of 6.38, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate is sourced from PubChem (CID 58280098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).