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

C13H22ClN5 — CID 535317

IUPAC2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-13(2,3)19-12-17-10(14)16-11(18-12)15-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJHGXMCKLWVCQEH-UHFFFAOYSA-N
MW283.81 g/mol
LogP3.48
Rot. Bonds3

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

2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine (PubChem CID 535317) has the molecular formula C13H22ClN5 and a molecular weight of 283.81 g/mol. Its IUPAC name is 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine
PubChem CID535317
Molecular FormulaC13H22ClN5
Molecular Weight283.81 g/mol
Exact Mass283.16
IUPAC Name2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine
SMILESCC(C)(C)Nc1nc(Cl)nc(NC2CCCCC2)n1
InChIInChI=1S/C13H22ClN5/c1-13(2,3)19-12-17-10(14)16-11(18-12)15-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H2,15,16,17,18,19)
InChIKeyJHGXMCKLWVCQEH-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 ≤ 500283.81
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine with MolForge

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Launch Full Analysis

Related Compounds

Terbuthylazine
CID 22206
Propazine
CID 4937
Sebuthylazine
CID 23712
1,3,5-Triazine, 2-tert-butylamino-4-chloro-6-propylamino-
CID 615138
6-Chloro-N-cyclohexyl-N'-ethyl-1,3,5-triazine-2,4-diamine
CID 158453
N-allyl-6-chloro-N'-cyclohexyl-1,3,5-triazine-2,4-diamine
CID 2056397
N-(tert-butyl)-N'-cyclohexyl-6-methoxy-1,3,5-triazine-2,4-diamine
CID 14651806
6-chloro-N4-cyclohexyl-N2-propan-2-yl-1,3,5-triazine-2,4-diamine
CID 779462
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,2-dimethylpropyl)-N4-ethyl-
CID 56843875
N2-tert-butyl-N6-ethyl-N4-propan-2-yl-1,3,5-triazine-2,4,6-triamine
CID 1119846
6-N-butyl-2-N,4-N-ditert-butyl-1,3,5-triazine-2,4,6-triamine
CID 4400747
6-chloro-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 71727293

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine (CID 535317) is 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-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-cyclohexyl-1,3,5-triazine-2,4-diamine?
The InChIKey is JHGXMCKLWVCQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22ClN5/c1-13(2,3)19-12-17-10(14)16-11(18-12)15-9-7-5-4-6-8-9/h9H,4-8H2,1-3H3,(H2,15,16,17,18,19).
What are the key properties of 2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine?
2-N-tert-butyl-6-chloro-4-N-cyclohexyl-1,3,5-triazine-2,4-diamine has a molecular weight of 283.81 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-cyclohexyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 535317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).