3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

C21H19BrN4O3 — CID 158555776

IUPAC3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc(C3(Nc4nccc(N5CCOC5=O)n4)CC3)ccc2c1Br
InChIInChI=1S/C21H19BrN4O3/c1-28-16-5-2-13-12-14(3-4-15(13)18(16)22)21(7-8-21)25-19-23-9-6-17(24-19)26-10-11-29-20(26)27/h2-6,9,12H,7-8,10-11H2,1H3,(H,23,24,25)
InChIKeyHQGUFRVBXWMCJA-UHFFFAOYSA-N
MW455.31 g/mol
LogP4.46
Rot. Bonds5

About 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one

3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (PubChem CID 158555776) has the molecular formula C21H19BrN4O3 and a molecular weight of 455.31 g/mol. Its IUPAC name is 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
PubChem CID158555776
Molecular FormulaC21H19BrN4O3
Molecular Weight455.31 g/mol
Exact Mass454.06
IUPAC Name3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
SMILESCOc1ccc2cc(C3(Nc4nccc(N5CCOC5=O)n4)CC3)ccc2c1Br
InChIInChI=1S/C21H19BrN4O3/c1-28-16-5-2-13-12-14(3-4-15(13)18(16)22)21(7-8-21)25-19-23-9-6-17(24-19)26-10-11-29-20(26)27/h2-6,9,12H,7-8,10-11H2,1H3,(H,23,24,25)
InChIKeyHQGUFRVBXWMCJA-UHFFFAOYSA-N
XLogP4.46
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.31
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one (CID 158555776) is 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is COc1ccc2cc(C3(Nc4nccc(N5CCOC5=O)n4)CC3)ccc2c1Br.
What is the InChIKey of 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
The InChIKey is HQGUFRVBXWMCJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19BrN4O3/c1-28-16-5-2-13-12-14(3-4-15(13)18(16)22)21(7-8-21)25-19-23-9-6-17(24-19)26-10-11-29-20(26)27/h2-6,9,12H,7-8,10-11H2,1H3,(H,23,24,25).
What are the key properties of 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one?
3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one has a molecular weight of 455.31 g/mol, XLogP of 4.46, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[[1-(5-bromo-6-methoxynaphthalen-2-yl)cyclopropyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 158555776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).