5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one

C11H16BrN3O2 — CID 102634696

IUPAC5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-13-7-4-2-3-5-8(7)17-11-9(12)10(16)14-6-15-11/h6-8,13H,2-5H2,1H3,(H,14,15,16)
InChIKeyGDJMBYFTPKPTRE-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.44
Rot. Bonds3

About 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one

5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (PubChem CID 102634696) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
PubChem CID102634696
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
SMILESCNC1CCCCC1Oc1nc[nH]c(=O)c1Br
InChIInChI=1S/C11H16BrN3O2/c1-13-7-4-2-3-5-8(7)17-11-9(12)10(16)14-6-15-11/h6-8,13H,2-5H2,1H3,(H,14,15,16)
InChIKeyGDJMBYFTPKPTRE-UHFFFAOYSA-N
XLogP1.44
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-iodo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634366
5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634633
5-methoxy-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634780
4-(4-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 102729376
4-(4-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 113604877
5-chloro-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 113718819
5-bromo-4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586421
4-(3-aminocyclohexyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586576
4-(2-aminocycloheptyl)oxy-5-bromo-1H-pyrimidin-6-one
CID 114586585
4-(2-aminocyclohexyl)oxy-1H-pyrimidin-6-one
CID 114586598
4-(2-aminocyclohexyl)oxy-5-methoxy-1H-pyrimidin-6-one
CID 114586601

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one (CID 102634696) is 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is CNC1CCCCC1Oc1nc[nH]c(=O)c1Br.
What is the InChIKey of 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
The InChIKey is GDJMBYFTPKPTRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c1-13-7-4-2-3-5-8(7)17-11-9(12)10(16)14-6-15-11/h6-8,13H,2-5H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one?
5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one has a molecular weight of 302.17 g/mol, XLogP of 1.44, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102634696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).