N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide

C6H9ClN6 — CID 134106493

IUPACN'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H9ClN6/c1-13(2)3-9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H2,8,10,11,12)/b9-3+
InChIKeyOWPBXPPTZNAFBL-YCRREMRBSA-N
MW200.63 g/mol
LogP0.33
Rot. Bonds2

About N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide

N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide (PubChem CID 134106493) has the molecular formula C6H9ClN6 and a molecular weight of 200.63 g/mol. Its IUPAC name is N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide
PubChem CID134106493
Molecular FormulaC6H9ClN6
Molecular Weight200.63 g/mol
Exact Mass200.06
IUPAC NameN'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide
SMILESCN(C)/C=N/c1nc(N)nc(Cl)n1
InChIInChI=1S/C6H9ClN6/c1-13(2)3-9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H2,8,10,11,12)/b9-3+
InChIKeyOWPBXPPTZNAFBL-YCRREMRBSA-N
XLogP0.33
TPSA80.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.63
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N'-(4,6-dichloro-5-propan-2-ylpyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 72679415
N'-(4,6-dichloro-5-propylpyrimidin-2-yl)-N,N-dimethylmethanimidamide
CID 123862536
6-chloro-2-N-methyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 80764732
6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818220
6-chloro-2-N-[[1-(dimethylamino)cyclobutyl]methyl]-1,3,5-triazine-2,4-diamine
CID 105420861
4-chloro-6-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]-1,3,5-triazin-2-amine
CID 81470010
6-chloro-1,3,5-triazine-2,4-diamine;2,2-dimethylbutane
CID 88798896
4-chloro-6-[2-(dimethylamino)ethylsulfanyl]-1,3,5-triazin-2-amine
CID 80895239
2-N-[2-[[4-chloro-6-[2-[(4,6-diamino-1,3,5-triazin-2-yl)-methylamino]ethyl-methylamino]-1,3,5-triazin-2-yl]-methylamino]ethyl]-2-N-methyl-1,3,5-triazine-2,4,6-triamine
CID 89059466
N'-(4-chloro-3-cyano-5-methylthiophen-2-yl)-N,N-dimethylmethanimidamide
CID 54464853
6-chloro-2-N-[2-(dimethylamino)ethyl]-1,3,5-triazine-2,4-diamine
CID 80770653
6-chloro-2-N-(2-fluorophenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80818336

Frequently Asked Questions

What is the IUPAC name of N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide?
The IUPAC name of N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide (CID 134106493) is N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide is CN(C)/C=N/c1nc(N)nc(Cl)n1.
What is the InChIKey of N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide?
The InChIKey is OWPBXPPTZNAFBL-YCRREMRBSA-N. The full InChI is InChI=1S/C6H9ClN6/c1-13(2)3-9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H2,8,10,11,12)/b9-3+.
What are the key properties of N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide?
N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide has a molecular weight of 200.63 g/mol, XLogP of 0.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(4-amino-6-chloro-1,3,5-triazin-2-yl)-N,N-dimethylmethanimidamide is sourced from PubChem (CID 134106493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).