6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine

C12H14ClN5 — CID 80818220

IUPAC6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(N(C)c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C12H14ClN5/c1-7-4-8(2)6-9(5-7)18(3)12-16-10(13)15-11(14)17-12/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyDHWCTPMDVBSMNJ-UHFFFAOYSA-N
MW263.73 g/mol
LogP2.49
Rot. Bonds2

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

6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (PubChem CID 80818220) has the molecular formula C12H14ClN5 and a molecular weight of 263.73 g/mol. Its IUPAC name is 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
PubChem CID80818220
Molecular FormulaC12H14ClN5
Molecular Weight263.73 g/mol
Exact Mass263.09
IUPAC Name6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(C)cc(N(C)c2nc(N)nc(Cl)n2)c1
InChIInChI=1S/C12H14ClN5/c1-7-4-8(2)6-9(5-7)18(3)12-16-10(13)15-11(14)17-12/h4-6H,1-3H3,(H2,14,15,16,17)
InChIKeyDHWCTPMDVBSMNJ-UHFFFAOYSA-N
XLogP2.49
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.73
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine (CID 80818220) is 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is Cc1cc(C)cc(N(C)c2nc(N)nc(Cl)n2)c1.
What is the InChIKey of 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
The InChIKey is DHWCTPMDVBSMNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN5/c1-7-4-8(2)6-9(5-7)18(3)12-16-10(13)15-11(14)17-12/h4-6H,1-3H3,(H2,14,15,16,17).
What are the key properties of 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine?
6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine has a molecular weight of 263.73 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-(3,5-dimethylphenyl)-2-N-methyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80818220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).