6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

C9H15N3O3 — CID 60705846

IUPAC6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCONCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H15N3O3/c1-4-15-10-6-7-5-8(13)12(3)9(14)11(7)2/h5,10H,4,6H2,1-3H3
InChIKeyKKGCAJHFWLAHST-UHFFFAOYSA-N
MW213.24 g/mol
LogP-0.87
Rot. Bonds4

About 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione

6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 60705846) has the molecular formula C9H15N3O3 and a molecular weight of 213.24 g/mol. Its IUPAC name is 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
PubChem CID60705846
Molecular FormulaC9H15N3O3
Molecular Weight213.24 g/mol
Exact Mass213.11
IUPAC Name6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione
SMILESCCONCc1cc(=O)n(C)c(=O)n1C
InChIInChI=1S/C9H15N3O3/c1-4-15-10-6-7-5-8(13)12(3)9(14)11(7)2/h5,10H,4,6H2,1-3H3
InChIKeyKKGCAJHFWLAHST-UHFFFAOYSA-N
XLogP-0.87
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 5-0.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione (CID 60705846) is 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is CCONCc1cc(=O)n(C)c(=O)n1C.
What is the InChIKey of 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is KKGCAJHFWLAHST-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O3/c1-4-15-10-6-7-5-8(13)12(3)9(14)11(7)2/h5,10H,4,6H2,1-3H3.
What are the key properties of 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione?
6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 213.24 g/mol, XLogP of -0.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(ethoxyamino)methyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 60705846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).