5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 114676271

IUPAC5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCN2CCCCC2)c1Br
InChIInChI=1S/C11H16BrN3O2/c12-9-10(16)13-8-14-11(9)17-7-6-15-4-2-1-3-5-15/h8H,1-7H2,(H,13,14,16)
InChIKeyPXQPOGAACHVIQX-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.40
Rot. Bonds4

About 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one

5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one (PubChem CID 114676271) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
PubChem CID114676271
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(OCCN2CCCCC2)c1Br
InChIInChI=1S/C11H16BrN3O2/c12-9-10(16)13-8-14-11(9)17-7-6-15-4-2-1-3-5-15/h8H,1-7H2,(H,13,14,16)
InChIKeyPXQPOGAACHVIQX-UHFFFAOYSA-N
XLogP1.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-amino-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241385
4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241394
5-bromo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939641
5-chloro-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113616066
5-methoxy-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 113792725
5-bromo-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586283
5-bromo-4-[2-(propylamino)ethoxy]-1H-pyrimidin-6-one
CID 114586340
5-bromo-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586403
5-bromo-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586421
5-bromo-4-[2-(dimethylamino)ethoxy]-1H-pyrimidin-6-one
CID 114676263
5-bromo-4-(2-pyrrolidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 114676266
5-iodo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 114676270

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one (CID 114676271) is 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one is O=c1[nH]cnc(OCCN2CCCCC2)c1Br.
What is the InChIKey of 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
The InChIKey is PXQPOGAACHVIQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c12-9-10(16)13-8-14-11(9)17-7-6-15-4-2-1-3-5-15/h8H,1-7H2,(H,13,14,16).
What are the key properties of 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one?
5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114676271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).