N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide

C7H8Cl2N4 — CID 88924731

IUPACN'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N4/c1-13(2)4-10-7-11-5(8)3-6(9)12-7/h3-4H,1-2H3
InChIKeyTWQBSQRIAYQDDO-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.00
Rot. Bonds2

About N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide

N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 88924731) has the molecular formula C7H8Cl2N4 and a molecular weight of 219.08 g/mol. Its IUPAC name is N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID88924731
Molecular FormulaC7H8Cl2N4
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC NameN'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)C=Nc1nc(Cl)cc(Cl)n1
InChIInChI=1S/C7H8Cl2N4/c1-13(2)4-10-7-11-5(8)3-6(9)12-7/h3-4H,1-2H3
InChIKeyTWQBSQRIAYQDDO-UHFFFAOYSA-N
XLogP2.00
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide (CID 88924731) is N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide is CN(C)C=Nc1nc(Cl)cc(Cl)n1.
What is the InChIKey of N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is TWQBSQRIAYQDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2N4/c1-13(2)4-10-7-11-5(8)3-6(9)12-7/h3-4H,1-2H3.
What are the key properties of N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide?
N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 219.08 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4,6-dichloropyrimidin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 88924731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).