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

C11H20ClN5 — CID 604080

IUPAC2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-10(2,3)16-8-13-7(12)14-9(15-8)17-11(4,5)6/h1-6H3,(H2,13,14,15,16,17)
InChIKeyFOCLPSNTXOGURM-UHFFFAOYSA-N
MW257.77 g/mol
LogP2.95
Rot. Bonds2

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

2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine (PubChem CID 604080) has the molecular formula C11H20ClN5 and a molecular weight of 257.77 g/mol. Its IUPAC name is 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
PubChem CID604080
Molecular FormulaC11H20ClN5
Molecular Weight257.77 g/mol
Exact Mass257.14
IUPAC Name2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C11H20ClN5/c1-10(2,3)16-8-13-7(12)14-9(15-8)17-11(4,5)6/h1-6H3,(H2,13,14,15,16,17)
InChIKeyFOCLPSNTXOGURM-UHFFFAOYSA-N
XLogP2.95
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.77
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Cyanazine
CID 30773
Terbuthylazine
CID 22206
Propazine
CID 4937
Desethylterbuthylazine
CID 108201
Sebuthylazine
CID 23712
4-N,6-N-ditert-butyl-2-N,2-N-dimethyl-1,3,5-triazine-2,4,6-triamine
CID 744450
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138
4,6-Dichloro-N-(1,1,3,3-tetramethylbutyl)-1,3,5-triazin-2-amine
CID 6430809
2-Amino-4-tert-butylamino-6-methoxy-1,3,5-triazine
CID 185719
N-tert-Butyl-6-chloro-N'-methyl-[1,3,5]triazine-2,4-diamine
CID 36755
2-[[4-Chloro-6-(methylamino)-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
CID 13747863
N-ethyl, N-methyl-atrazine
CID 90806131

Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine (CID 604080) is 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine is CC(C)(C)Nc1nc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
The InChIKey is FOCLPSNTXOGURM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20ClN5/c1-10(2,3)16-8-13-7(12)14-9(15-8)17-11(4,5)6/h1-6H3,(H2,13,14,15,16,17).
What are the key properties of 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine?
2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine has a molecular weight of 257.77 g/mol, XLogP of 2.95, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-ditert-butyl-6-chloro-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 604080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).