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

C9H16ClN5 — CID 611806

IUPAC4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C9H16ClN5/c1-9(2,3)14-7-11-6(10)12-8(13-7)15(4)5/h1-5H3,(H,11,12,13,14)
InChIKeyAKAZTQKGNFIPHF-UHFFFAOYSA-N
MW229.72 g/mol
LogP1.80
Rot. Bonds2

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

4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (PubChem CID 611806) has the molecular formula C9H16ClN5 and a molecular weight of 229.72 g/mol. Its IUPAC name is 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
PubChem CID611806
Molecular FormulaC9H16ClN5
Molecular Weight229.72 g/mol
Exact Mass229.11
IUPAC Name4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine
SMILESCN(C)c1nc(Cl)nc(NC(C)(C)C)n1
InChIInChI=1S/C9H16ClN5/c1-9(2,3)14-7-11-6(10)12-8(13-7)15(4)5/h1-5H3,(H,11,12,13,14)
InChIKeyAKAZTQKGNFIPHF-UHFFFAOYSA-N
XLogP1.80
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Cyanazine
CID 30773
Terbuthylazine
CID 22206
Atrazine
CID 2256
Propazine
CID 4937
Deethylatrazine
CID 22563
Desethylterbuthylazine
CID 108201
Sebuthylazine
CID 23712
Trietazine
CID 15951
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-methyl-N4-(1-methylethyl)-
CID 18153
N-(4,6-Bis((1-methylethyl)amino)-1,3,5-triazin-2-yl)-N-methylcyanamide
CID 49968
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1,1-dimethylethyl)-
CID 604080
Heptazine
CID 15950

Frequently Asked Questions

What is the IUPAC name of 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine (CID 611806) is 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is CN(C)c1nc(Cl)nc(NC(C)(C)C)n1.
What is the InChIKey of 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is AKAZTQKGNFIPHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-9(2,3)14-7-11-6(10)12-8(13-7)15(4)5/h1-5H3,(H,11,12,13,14).
What are the key properties of 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine?
4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 229.72 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-tert-butyl-6-chloro-2-N,2-N-dimethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 611806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).