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

C30H34N4O4 — CID 67207519

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

tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate (PubChem CID 67207519) has the molecular formula C30H34N4O4 and a molecular weight of 514.63 g/mol. Its IUPAC name is tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
• PubChem CID: 67207519
• Molecular Formula: C30H34N4O4
• Molecular Weight: 514.63 g/mol
• Exact Mass: 514.26
• IUPAC Name: tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate
• SMILES: CCn1c(NC)nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c2c1=O
• InChI: InChI=1S/C30H34N4O4/c1-6-34-26(35)23-22(19-11-8-7-9-12-19)24(37-25(23)32-27(34)31-5)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: SILFOKHDJPDWLZ-UHFFFAOYSA-N
• XLogP: 6.29
• 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	6.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate (CID 67207519) is tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate.

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

The canonical SMILES for tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate is CCn1c(NC)nc2oc(-c3ccc(C4(NC(=O)OC(C)(C)C)CCC4)cc3)c(-c3ccccc3)c2c1=O.

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

The InChIKey is SILFOKHDJPDWLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N4O4/c1-6-34-26(35)23-22(19-11-8-7-9-12-19)24(37-25(23)32-27(34)31-5)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-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate?

tert-butyl N-[1-[4-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate has a molecular weight of 514.63 g/mol, XLogP of 6.29, 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-[3-ethyl-2-(methylamino)-4-oxo-5-phenylfuro[2,3-d]pyrimidin-6-yl]phenyl]cyclobutyl]carbamate is sourced from PubChem (CID 67207519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).