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

C12H13Cl2N5 — CID 140984307

IUPAC6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H13Cl2N5/c1-19(2)12-17-10(16-11(15)18-12)6-7-8(13)4-3-5-9(7)14/h3-5H,6H2,1-2H3,(H2,15,16,17,18)
InChIKeySIVINKPIJTUSKU-UHFFFAOYSA-N
MW298.18 g/mol
LogP2.42
Rot. Bonds3

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

6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 140984307) has the molecular formula C12H13Cl2N5 and a molecular weight of 298.18 g/mol. Its IUPAC name is 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID140984307
Molecular FormulaC12H13Cl2N5
Molecular Weight298.18 g/mol
Exact Mass297.05
IUPAC Name6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(N)nc(Cc2c(Cl)cccc2Cl)n1
InChIInChI=1S/C12H13Cl2N5/c1-19(2)12-17-10(16-11(15)18-12)6-7-8(13)4-3-5-9(7)14/h3-5H,6H2,1-2H3,(H2,15,16,17,18)
InChIKeySIVINKPIJTUSKU-UHFFFAOYSA-N
XLogP2.42
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.18
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 140984307) is 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(N)nc(Cc2c(Cl)cccc2Cl)n1.
What is the InChIKey of 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is SIVINKPIJTUSKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Cl2N5/c1-19(2)12-17-10(16-11(15)18-12)6-7-8(13)4-3-5-9(7)14/h3-5H,6H2,1-2H3,(H2,15,16,17,18).
What are the key properties of 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 298.18 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2,6-dichlorophenyl)methyl]-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 140984307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).