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

C9H15N3O2 — CID 82657911

IUPAC5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCONCc1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)8-10-4-7(5-11-14-3)9(13)12-8/h4,6,11H,5H2,1-3H3,(H,10,12,13)
InChIKeySHPQDBDPVCOMFI-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.54
Rot. Bonds4

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

5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 82657911) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID82657911
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCONCc1cnc(C(C)C)[nH]c1=O
InChIInChI=1S/C9H15N3O2/c1-6(2)8-10-4-7(5-11-14-3)9(13)12-8/h4,6,11H,5H2,1-3H3,(H,10,12,13)
InChIKeySHPQDBDPVCOMFI-UHFFFAOYSA-N
XLogP0.54
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(Aminomethyl)-2-methyl-4(3H)-pyrimidinone
CID 12694600
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
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-methyl-6-oxo-1,6-dihydropyrimidin-5-yl)methyl]formamide
CID 71758624
N-[(2-methyl-6-oxo-1H-pyrimidin-5-yl)methyl]acetamide
CID 76852062
5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 82502898
5-(aminomethyl)-2-propyl-1H-pyrimidin-6-one
CID 82503030
5-(aminomethyl)-2-tert-butyl-1H-pyrimidin-6-one
CID 82503857
5-(aminomethyl)-2-(2-methylpropyl)-1H-pyrimidin-6-one
CID 82503878

Frequently Asked Questions

What is the IUPAC name of 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one (CID 82657911) is 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one is CONCc1cnc(C(C)C)[nH]c1=O.
What is the InChIKey of 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is SHPQDBDPVCOMFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(2)8-10-4-7(5-11-14-3)9(13)12-8/h4,6,11H,5H2,1-3H3,(H,10,12,13).
What are the key properties of 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one?
5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 197.24 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(methoxyamino)methyl]-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 82657911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).