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

C9H16ClN5 — CID 87385751

IUPAC2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(Cl)n1)C(C)(C)C
InChIInChI=1S/C9H16ClN5/c1-5-15(9(2,3)4)8-13-6(10)12-7(11)14-8/h5H2,1-4H3,(H2,11,12,13,14)
InChIKeyNWHRPZPSBCFTQX-UHFFFAOYSA-N
MW229.71 g/mol
LogP1.73
Rot. Bonds2

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

2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine (PubChem CID 87385751) has the molecular formula C9H16ClN5 and a molecular weight of 229.71 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
PubChem CID87385751
Molecular FormulaC9H16ClN5
Molecular Weight229.71 g/mol
Exact Mass229.11
IUPAC Name2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine
SMILESCCN(c1nc(N)nc(Cl)n1)C(C)(C)C
InChIInChI=1S/C9H16ClN5/c1-5-15(9(2,3)4)8-13-6(10)12-7(11)14-8/h5H2,1-4H3,(H2,11,12,13,14)
InChIKeyNWHRPZPSBCFTQX-UHFFFAOYSA-N
XLogP1.73
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.71
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Terbuthylazine
CID 22206
Propazine
CID 4937
Chlorazine
CID 11380
Trietazine
CID 15951
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1,1-dimethylethyl)-
CID 604080
Heptazine
CID 15950
s-Triazine, 2,4-bis(dimethylamino)-6-chloro-
CID 217409
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-(Tert-butylamino)-6-(isopropylamino)-1,3,5-triazin-2-yl(ethyl)cyanamide
CID 3128115
N-tert-Butyl-6-chloro-N'-methyl-[1,3,5]triazine-2,4-diamine
CID 36755
N-ethyl, N-methyl-atrazine
CID 90806131

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine (CID 87385751) is 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine is CCN(c1nc(N)nc(Cl)n1)C(C)(C)C.
What is the InChIKey of 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is NWHRPZPSBCFTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16ClN5/c1-5-15(9(2,3)4)8-13-6(10)12-7(11)14-8/h5H2,1-4H3,(H2,11,12,13,14).
What are the key properties of 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 229.71 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-chloro-2-N-ethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 87385751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).