N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide

C7H7Cl3N4 — CID 90182317

IUPACN,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C7H7Cl3N4/c1-14(2)3-11-7-12-5(9)4(8)6(10)13-7/h3H,1-2H3/b11-3+
InChIKeyPMPGNUZOBPJARF-QDEBKDIKSA-N
MW253.52 g/mol
LogP2.66
Rot. Bonds2

About N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide

N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide (PubChem CID 90182317) has the molecular formula C7H7Cl3N4 and a molecular weight of 253.52 g/mol. Its IUPAC name is N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide.

Molecular Properties

Compound NameN,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide
PubChem CID90182317
Molecular FormulaC7H7Cl3N4
Molecular Weight253.52 g/mol
Exact Mass251.97
IUPAC NameN,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide
SMILESCN(C)/C=N/c1nc(Cl)c(Cl)c(Cl)n1
InChIInChI=1S/C7H7Cl3N4/c1-14(2)3-11-7-12-5(9)4(8)6(10)13-7/h3H,1-2H3/b11-3+
InChIKeyPMPGNUZOBPJARF-QDEBKDIKSA-N
XLogP2.66
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.52
LogP ≤ 52.66
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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Related Compounds

2,4,5,6-Tetrachloropyrimidine
CID 15690
5,6-Dichloro-pyrimidin-4-ylamine
CID 24219262
4,5,6-Trichloropyrimidine
CID 249007
4,5,6-Trichloro-2-methylpyrimidine
CID 231054
4,6-Dichloro-5-methylpyrimidine
CID 818860
4,5,6-Trichloropyrimidin-2-amine
CID 345630
4,5,6-Trichloro-2-propan-2-ylpyrimidine
CID 249014
4,6-Dichloro-N,N,5-trimethylpyrimidin-2-amine
CID 12331517
4,5,6-Trichloro-2-ethylpyrimidine
CID 249454
4,6-Dichloro-2,5-bis{[(dimethylamino)methylene]amino}pyrimidine
CID 11984067
4,6-dichloro-2-[(N,N-dimethylamino)methyleneamino]pyrimidine
CID 88924731
4,5,6-Trichloro-2-propylpyrimidine
CID 249008

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide?
The IUPAC name of N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide (CID 90182317) is N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide.
What is the SMILES notation for N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide?
The canonical SMILES for N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide is CN(C)/C=N/c1nc(Cl)c(Cl)c(Cl)n1.
What is the InChIKey of N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide?
The InChIKey is PMPGNUZOBPJARF-QDEBKDIKSA-N. The full InChI is InChI=1S/C7H7Cl3N4/c1-14(2)3-11-7-12-5(9)4(8)6(10)13-7/h3H,1-2H3/b11-3+.
What are the key properties of N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide?
N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide has a molecular weight of 253.52 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-(4,5,6-trichloropyrimidin-2-yl)methanimidamide is sourced from PubChem (CID 90182317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).