N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride

C9H14ClN5O2 — CID 134891640

IUPACN'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride
SMILESCN(C)/C(Cl)=N/c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14ClN5O2/c1-13(2)8(10)12-5-6(11)14(3)9(17)15(4)7(5)16/h11H2,1-4H3/b12-8+
InChIKeyXQCUALABEZZVTH-XYOKQWHBSA-N
MW259.70 g/mol
LogP-0.55
Rot. Bonds1

About N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride

N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride (PubChem CID 134891640) has the molecular formula C9H14ClN5O2 and a molecular weight of 259.70 g/mol. Its IUPAC name is N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride.

Molecular Properties

Compound NameN'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride
PubChem CID134891640
Molecular FormulaC9H14ClN5O2
Molecular Weight259.70 g/mol
Exact Mass259.08
IUPAC NameN'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride
SMILESCN(C)/C(Cl)=N/c1c(N)n(C)c(=O)n(C)c1=O
InChIInChI=1S/C9H14ClN5O2/c1-13(2)8(10)12-5-6(11)14(3)9(17)15(4)7(5)16/h11H2,1-4H3/b12-8+
InChIKeyXQCUALABEZZVTH-XYOKQWHBSA-N
XLogP-0.55
TPSA85.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.70
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
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': 'N-C-halo', 'substructure': 'N/A'}

Analyze N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride?
The IUPAC name of N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride (CID 134891640) is N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride.
What is the SMILES notation for N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride?
The canonical SMILES for N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride is CN(C)/C(Cl)=N/c1c(N)n(C)c(=O)n(C)c1=O.
What is the InChIKey of N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride?
The InChIKey is XQCUALABEZZVTH-XYOKQWHBSA-N. The full InChI is InChI=1S/C9H14ClN5O2/c1-13(2)8(10)12-5-6(11)14(3)9(17)15(4)7(5)16/h11H2,1-4H3/b12-8+.
What are the key properties of N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride?
N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride has a molecular weight of 259.70 g/mol, XLogP of -0.55, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-1,3-dimethyl-2,6-dioxopyrimidin-5-yl)-N,N-dimethylcarbamimidoyl chloride is sourced from PubChem (CID 134891640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).