2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one

C8H13N3O2 — CID 82655075

IUPAC2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one
SMILESCCc1ncc(CNOC)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-7-9-4-6(5-10-13-2)8(12)11-7/h4,10H,3,5H2,1-2H3,(H,9,11,12)
InChIKeySRJCAXCLHJYYFI-UHFFFAOYSA-N
MW183.21 g/mol
LogP-0.02
Rot. Bonds4

About 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one

2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one (PubChem CID 82655075) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one
PubChem CID82655075
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one
SMILESCCc1ncc(CNOC)c(=O)[nH]1
InChIInChI=1S/C8H13N3O2/c1-3-7-9-4-6(5-10-13-2)8(12)11-7/h4,10H,3,5H2,1-2H3,(H,9,11,12)
InChIKeySRJCAXCLHJYYFI-UHFFFAOYSA-N
XLogP-0.02
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
5-(propylaminomethyl)-2-(2,2,2-trifluoroethyl)-1H-pyrimidin-6-one
CID 114206257
5-Methyl-2-propylpyrimidin-4(3H)-one
CID 15335387
2-Ethyl-5-methylpyrimidin-4(1H)-one
CID 18360616
5-Methyl-2-(propan-2-yl)pyrimidin-4-ol
CID 24903844
2-[3-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 66581406
2-[3-[(2-tert-butyl-6-oxo-1H-pyrimidin-5-yl)methylamino]propyl]guanidine
CID 89492717
N-Hydroxy-2-methyl-6-oxo-1,6-dihydropyrimidine-5-carboximidamide
CID 137178759
5-(Aminomethyl)-2-ethyl-4(3H)-pyrimidinone
CID 33741805
5-(aminomethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 33741918
N,2-dimethyl-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 50989028
N-[(2-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]formamide
CID 71758624

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one?
The IUPAC name of 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one (CID 82655075) is 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one?
The canonical SMILES for 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one is CCc1ncc(CNOC)c(=O)[nH]1.
What is the InChIKey of 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one?
The InChIKey is SRJCAXCLHJYYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-3-7-9-4-6(5-10-13-2)8(12)11-7/h4,10H,3,5H2,1-2H3,(H,9,11,12).
What are the key properties of 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one?
2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one has a molecular weight of 183.21 g/mol, XLogP of -0.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-[(methoxyamino)methyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 82655075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).