5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 114676480

IUPAC5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-15-5-3-2-4-8(15)6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyHXGMUCUIGODXLD-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.40
Rot. Bonds3

About 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114676480) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID114676480
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-15-5-3-2-4-8(15)6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6H2,1H3,(H,13,14,16)
InChIKeyHXGMUCUIGODXLD-UHFFFAOYSA-N
XLogP1.40
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
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-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634696
5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241696
5-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
5-bromo-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939641
5-chloro-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113616100
5-bromo-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586377
5-bromo-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586403
4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586417
5-methoxy-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586420
5-bromo-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586421
5-iodo-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586424

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 114676480) is 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is CN1CCCCC1COc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is HXGMUCUIGODXLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-15-5-3-2-4-8(15)6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6H2,1H3,(H,13,14,16).
What are the key properties of 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114676480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).