6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine

C11H11Cl2N5 — CID 80793890

IUPAC6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccc(Cl)cc1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C11H11Cl2N5/c1-18(6-7-2-4-8(12)5-3-7)11-16-9(13)15-10(14)17-11/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyDWCZGRVLZVHFFC-UHFFFAOYSA-N
MW284.15 g/mol
LogP2.40
Rot. Bonds3

About 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine

6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80793890) has the molecular formula C11H11Cl2N5 and a molecular weight of 284.15 g/mol. Its IUPAC name is 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80793890
Molecular FormulaC11H11Cl2N5
Molecular Weight284.15 g/mol
Exact Mass283.04
IUPAC Name6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCN(Cc1ccc(Cl)cc1)c1nc(N)nc(Cl)n1
InChIInChI=1S/C11H11Cl2N5/c1-18(6-7-2-4-8(12)5-3-7)11-16-9(13)15-10(14)17-11/h2-5H,6H2,1H3,(H2,14,15,16,17)
InChIKeyDWCZGRVLZVHFFC-UHFFFAOYSA-N
XLogP2.40
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.15
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,6-dichloro-N-[(4-chlorophenyl)methyl]-N-methyl-1,3,5-triazin-2-amine
CID 62868382
2-N-[(4-bromophenyl)methyl]-6-chloro-2-N-methyl-1,3,5-triazine-2,4-diamine
CID 80794390
6-chloro-2-N-methyl-2-N-(thiophen-3-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80781146
2-N,4-N,4-N-trimethyl-2-N-[(4-methylphenyl)methyl]-1,3,5-triazine-2,4,6-triamine
CID 80764929
4-N-[(4-chlorophenyl)methyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 113221848
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
6-chloro-2-N-methyl-2-N-(1,3-thiazol-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80814611
6-chloro-2-N-ethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 80808976
2-N,6-dimethyl-2-N-(pyridin-4-ylmethyl)-1,3,5-triazine-2,4-diamine
CID 166178436
N-[(4-bromophenyl)methyl]-4-chloro-6-methoxy-N-methyl-1,3,5-triazin-2-amine
CID 62858842
4-N-[(4-chlorophenyl)methyl]-4-N-methyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564315
N-benzyl-4-chloro-N-methyl-6-pyrrolidin-1-yl-1,3,5-triazin-2-amine
CID 62869660

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80793890) is 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine is CN(Cc1ccc(Cl)cc1)c1nc(N)nc(Cl)n1.
What is the InChIKey of 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DWCZGRVLZVHFFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2N5/c1-18(6-7-2-4-8(12)5-3-7)11-16-9(13)15-10(14)17-11/h2-5H,6H2,1H3,(H2,14,15,16,17).
What are the key properties of 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 284.15 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(4-chlorophenyl)methyl]-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80793890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).