5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one

C11H17BrN4O2 — CID 136958124

IUPAC5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCN1CCOC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H17BrN4O2/c1-2-16-3-4-18-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyHBAFRJMNXLUFLD-UHFFFAOYSA-N
MW317.19 g/mol
LogP0.67
Rot. Bonds4

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

5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (PubChem CID 136958124) has the molecular formula C11H17BrN4O2 and a molecular weight of 317.19 g/mol. Its IUPAC name is 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
PubChem CID136958124
Molecular FormulaC11H17BrN4O2
Molecular Weight317.19 g/mol
Exact Mass316.05
IUPAC Name5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one
SMILESCCN1CCOC(CNc2nc[nH]c(=O)c2Br)C1
InChIInChI=1S/C11H17BrN4O2/c1-2-16-3-4-18-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17)
InChIKeyHBAFRJMNXLUFLD-UHFFFAOYSA-N
XLogP0.67
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.19
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-(oxolan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956018
5-bromo-4-(oxan-2-ylmethylamino)-1H-pyrimidin-6-one
CID 136956337
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylpyridin-2-amine
CID 115693777
5-bromo-2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114400346
N-[(4-ethylmorpholin-2-yl)methyl]-3,6-dimethylpyrazin-2-amine
CID 104695446
5-chloro-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyridazin-6-one
CID 113233659
2-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxamide
CID 115619041
N-[(4-ethylmorpholin-2-yl)methyl]-5-iodopyrimidin-2-amine
CID 113459925
4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-3-methylaniline
CID 79165325
6-ethyl-N-[(4-ethylmorpholin-2-yl)methyl]-5-fluoropyrimidin-4-amine
CID 103880098
5-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-3-fluoropyridin-2-amine
CID 115681758
5-amino-6-[(4-ethylmorpholin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 114401101

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one (CID 136958124) is 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is CCN1CCOC(CNc2nc[nH]c(=O)c2Br)C1.
What is the InChIKey of 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
The InChIKey is HBAFRJMNXLUFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4O2/c1-2-16-3-4-18-8(6-16)5-13-10-9(12)11(17)15-7-14-10/h7-8H,2-6H2,1H3,(H2,13,14,15,17).
What are the key properties of 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one?
5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one has a molecular weight of 317.19 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-ethylmorpholin-2-yl)methylamino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136958124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).