2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine

C13H16ClN5 — CID 744423

IUPAC2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H16ClN5/c1-13(2,3)19-12-17-10(14)16-11(18-12)15-9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,15,16,17,18,19)
InChIKeyFSLNQLUXMDYMQS-UHFFFAOYSA-N
MW277.76 g/mol
LogP3.48
Rot. Bonds3

About 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine

2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine (PubChem CID 744423) has the molecular formula C13H16ClN5 and a molecular weight of 277.76 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine
PubChem CID744423
Molecular FormulaC13H16ClN5
Molecular Weight277.76 g/mol
Exact Mass277.11
IUPAC Name2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(Nc2ccccc2)n1
InChIInChI=1S/C13H16ClN5/c1-13(2,3)19-12-17-10(14)16-11(18-12)15-9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,15,16,17,18,19)
InChIKeyFSLNQLUXMDYMQS-UHFFFAOYSA-N
XLogP3.48
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.76
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine (CID 744423) is 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Cl)nc(Nc2ccccc2)n1.
What is the InChIKey of 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
The InChIKey is FSLNQLUXMDYMQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN5/c1-13(2,3)19-12-17-10(14)16-11(18-12)15-9-7-5-4-6-8-9/h4-8H,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine has a molecular weight of 277.76 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-chloro-4-N-phenyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 744423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).