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

C10H15N3O4 — CID 118091002

IUPAC5-[(Z)-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-WDZFZDKYSA-N
MW241.25 g/mol
LogP-0.32
Rot. Bonds4

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

5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione (PubChem CID 118091002) has the molecular formula C10H15N3O4 and a molecular weight of 241.25 g/mol. Its IUPAC name is 5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione
PubChem CID118091002
Molecular FormulaC10H15N3O4
Molecular Weight241.25 g/mol
Exact Mass241.11
IUPAC Name5-[(Z)-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-WDZFZDKYSA-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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Related Compounds

5-[(E)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
CID 45257035
5-[(E)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione
CID 45257036
6-ethoxy-5-[(E)-hydroxyiminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 46179679
N-[(4-ethoxy-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)methylidene]acetamide
CID 71811194
6-ethoxy-5-[(E)-methoxyiminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 45257037
6-Ethoxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbaldehyde O-methyloxime
CID 86658682
6-Ethoxy-5-methanimidoyl-1,3-dimethylpyrimidine-2,4-dione
CID 88898584
5-Methanimidoyl-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
CID 89087244
5-Methanimidoyl-1,3-dimethyl-6-propoxypyrimidine-2,4-dione
CID 89802846
6-ethoxy-5-[(Z)-hydroxyiminomethyl]-1,3-dimethylpyrimidine-2,4-dione
CID 118091014
5-[(Z)-hydroxyiminomethyl]-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
CID 118091016
5-(Hydroxyiminomethyl)-6-methoxy-1,3-dimethylpyrimidine-2,4-dione
CID 123228561

Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
The IUPAC name of 5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione (CID 118091002) is 5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione.
What is the SMILES notation for 5-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
The canonical SMILES for 5-[(Z)-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-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
The InChIKey is BUSDQWAKRZQEFC-WDZFZDKYSA-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-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione?
5-[(Z)-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-[(Z)-hydroxyiminomethyl]-1,3-dimethyl-6-propoxypyrimidine-2,4-dione is sourced from PubChem (CID 118091002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).