5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione

C10H15N3O4 — CID 45257036

IUPAC5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione
SMILESCCCOc1c(/C=N/O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O4/c1-4-5-17-9-7(6-11-16)8(14)12(2)10(15)13(9)3/h6,16H,4-5H2,1-3H3/b11-6+
InChIKeyBUSDQWAKRZQEFC-IZZDOVSWSA-N
MW241.25 g/mol
LogP-0.32
Rot. Bonds4

About 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione

5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione (PubChem CID 45257036) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione
PubChem CID45257036
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione
SMILESCCCOc1c(/C=N/O)c(=O)n(C)c(=O)n1C
InChIInChI=1S/C10H15N3O4/c1-4-5-17-9-7(6-11-16)8(14)12(2)10(15)13(9)3/h6,16H,4-5H2,1-3H3/b11-6+
InChIKeyBUSDQWAKRZQEFC-IZZDOVSWSA-N
XLogP-0.32
TPSA85.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 5-0.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', '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 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
The IUPAC name of 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione (CID 45257036) is 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione is CCCOc1c(/C=N/O)c(=O)n(C)c(=O)n1C.
What is the InChIKey of 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
The InChIKey is BUSDQWAKRZQEFC-IZZDOVSWSA-N. The full InChI is InChI=1S/C10H15N3O4/c1-4-5-17-9-7(6-11-16)8(14)12(2)10(15)13(9)3/h6,16H,4-5H2,1-3H3/b11-6+.
What are the key properties of 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione has a molecular weight of 241.25 g/mol, XLogP of -0.32, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione is sourced from PubChem (CID 45257036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).