5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one

C10H16BrN3O2 — CID 114676274

IUPAC5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyCXRRHYMMFZDKBY-UHFFFAOYSA-N
MW290.16 g/mol
LogP1.25
Rot. Bonds6

About 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one

5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one (PubChem CID 114676274) has the molecular formula C10H16BrN3O2 and a molecular weight of 290.16 g/mol. Its IUPAC name is 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
PubChem CID114676274
Molecular FormulaC10H16BrN3O2
Molecular Weight290.16 g/mol
Exact Mass289.04
IUPAC Name5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
SMILESCCN(CC)CCOc1nc[nH]c(=O)c1Br
InChIInChI=1S/C10H16BrN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyCXRRHYMMFZDKBY-UHFFFAOYSA-N
XLogP1.25
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Bromo-3-[3-(2-methoxyethylamino)propyl]pyrimidin-4-one
CID 66308309
5-Bromo-3-[4-(2-methoxyethylamino)butyl]pyrimidin-4-one
CID 66309156
5-bromo-4-[2-[cyclopropyl(methyl)amino]ethoxy]-1H-pyrimidin-6-one
CID 102740474
4-[2-(diethylamino)ethoxy]-5-methoxy-1H-pyrimidin-6-one
CID 103241415
4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one
CID 103241419
4-[2-[di(propan-2-yl)amino]ethoxy]-5-iodo-1H-pyrimidin-6-one
CID 113616108
5-bromo-4-[2-(methylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586302
5-bromo-4-[1-(methylamino)propan-2-yloxy]-1H-pyrimidin-6-one
CID 114586312
5-bromo-4-[2-(ethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586331
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
4-(2-aminoethoxy)-5-bromo-1H-pyrimidin-6-one
CID 114586359
5-bromo-4-[2-(propan-2-ylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586385

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one (CID 114676274) is 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one is CCN(CC)CCOc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
The InChIKey is CXRRHYMMFZDKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16BrN3O2/c1-3-14(4-2)5-6-16-10-8(11)9(15)12-7-13-10/h7H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one?
5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one has a molecular weight of 290.16 g/mol, XLogP of 1.25, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(diethylamino)ethoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).