4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide

C7H9ClN4O3 — CID 16776564

IUPAC4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide
SMILESCn1c(Cl)c(/C(N)=N/O)c(=O)n(C)c1=O
InChIInChI=1S/C7H9ClN4O3/c1-11-4(8)3(5(9)10-15)6(13)12(2)7(11)14/h15H,1-2H3,(H2,9,10)
InChIKeyDVKMGSADXGBYKQ-UHFFFAOYSA-N
MW232.63 g/mol
LogP-1.17
Rot. Bonds1

About 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide

4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide (PubChem CID 16776564) has the molecular formula C7H9ClN4O3 and a molecular weight of 232.63 g/mol. Its IUPAC name is 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide.

Molecular Properties

Compound Name4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide
PubChem CID16776564
Molecular FormulaC7H9ClN4O3
Molecular Weight232.63 g/mol
Exact Mass232.04
IUPAC Name4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide
SMILESCn1c(Cl)c(/C(N)=N/O)c(=O)n(C)c1=O
InChIInChI=1S/C7H9ClN4O3/c1-11-4(8)3(5(9)10-15)6(13)12(2)7(11)14/h15H,1-2H3,(H2,9,10)
InChIKeyDVKMGSADXGBYKQ-UHFFFAOYSA-N
XLogP-1.17
TPSA102.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.63
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide?
The IUPAC name of 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide (CID 16776564) is 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide.
What is the SMILES notation for 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide?
The canonical SMILES for 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide is Cn1c(Cl)c(/C(N)=N/O)c(=O)n(C)c1=O.
What is the InChIKey of 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide?
The InChIKey is DVKMGSADXGBYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClN4O3/c1-11-4(8)3(5(9)10-15)6(13)12(2)7(11)14/h15H,1-2H3,(H2,9,10).
What are the key properties of 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide?
4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide has a molecular weight of 232.63 g/mol, XLogP of -1.17, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N'-hydroxy-1,3-dimethyl-2,6-dioxopyrimidine-5-carboximidamide is sourced from PubChem (CID 16776564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).