tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate

C30H34N4O4 — CID 67207219

About tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate

tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate (PubChem CID 67207219) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
• PubChem CID: 67207219
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
• SMILES: CCNc1nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1C
• InChI: InChI=1S/C30H34N4O4/c1-6-31-27-32-25-23(26(35)34(27)5)22(19-11-8-7-9-12-19)24(37-25)20-13-15-21(16-14-20)30(17-10-18-30)33-28(36)38-29(2,3)4/h7-9,11-16H,6,10,17-18H2,1-5H3,(H,31,32)(H,33,36)
• InChIKey: HVTZGJNLKKWGNL-UHFFFAOYSA-N
• XLogP: 6.20
• TPSA: 98.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.63
LogP ≤ 5	6.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate?

The IUPAC name of tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate (CID 67207219) is tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate.

What is the SMILES notation for tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate?

The canonical SMILES for tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate is CCNc1nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c2c(=O)n1C.

What is the InChIKey of tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate?

The InChIKey is HVTZGJNLKKWGNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-6-31-27-32-25-23(26(35)34(27)5)22(19-11-8-7-9-12-19)24(37-25)20-13-15-21(16-14-20)30(17-10-18-30)33-28(36)38-29(2,3)4/h7-9,11-16H,6,10,17-18H2,1-5H3,(H,31,32)(H,33,36).

What are the key properties of tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate?

tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 514.63 g/mol, XLogP of 6.20, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[1-[4-[2-(ethylamino)-3-methyl-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 67207219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).