N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide

C13H18BrN3O2 — CID 146142886

IUPACN-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide
SMILESCN(C(=O)C1CCOC(C)(C)C1)c1ncc(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c1-13(2)6-9(4-5-19-13)11(18)17(3)12-15-7-10(14)8-16-12/h7-9H,4-6H2,1-3H3
InChIKeyKUCQMFXAEIPNCN-UHFFFAOYSA-N
MW328.21 g/mol
LogP2.41
Rot. Bonds2

About N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide

N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide (PubChem CID 146142886) has the molecular formula C13H18BrN3O2 and a molecular weight of 328.21 g/mol. Its IUPAC name is N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide
PubChem CID146142886
Molecular FormulaC13H18BrN3O2
Molecular Weight328.21 g/mol
Exact Mass327.06
IUPAC NameN-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide
SMILESCN(C(=O)C1CCOC(C)(C)C1)c1ncc(Br)cn1
InChIInChI=1S/C13H18BrN3O2/c1-13(2)6-9(4-5-19-13)11(18)17(3)12-15-7-10(14)8-16-12/h7-9H,4-6H2,1-3H3
InChIKeyKUCQMFXAEIPNCN-UHFFFAOYSA-N
XLogP2.41
TPSA55.32 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.21
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide?
The IUPAC name of N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide (CID 146142886) is N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide.
What is the SMILES notation for N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide?
The canonical SMILES for N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide is CN(C(=O)C1CCOC(C)(C)C1)c1ncc(Br)cn1.
What is the InChIKey of N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide?
The InChIKey is KUCQMFXAEIPNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrN3O2/c1-13(2)6-9(4-5-19-13)11(18)17(3)12-15-7-10(14)8-16-12/h7-9H,4-6H2,1-3H3.
What are the key properties of N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide?
N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide has a molecular weight of 328.21 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromopyrimidin-2-yl)-N,2,2-trimethyloxane-4-carboxamide is sourced from PubChem (CID 146142886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).