6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C15H28ClN5 — CID 14668398

IUPAC6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C15H28ClN5/c1-8-21(9-2)13-18-11(16)17-12(19-13)20-15(6,7)10-14(3,4)5/h8-10H2,1-7H3,(H,17,18,19,20)
InChIKeySBQBRWRMNMJVLX-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.00
Rot. Bonds6

About 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine

6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 14668398) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID14668398
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CC)c1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C15H28ClN5/c1-8-21(9-2)13-18-11(16)17-12(19-13)20-15(6,7)10-14(3,4)5/h8-10H2,1-7H3,(H,17,18,19,20)
InChIKeySBQBRWRMNMJVLX-UHFFFAOYSA-N
XLogP4.00
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

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
6-chloro-4-N-methyl-2-N-(3-methylpentan-3-yl)-1,3,5-triazine-2,4-diamine
CID 71727293
N~4~,N~6~-di-tert-butyl-N~2~,N~2~-diethyl-1,3,5-triazine-2,4,6-triamine
CID 678233
6-Chloro-N,N'-(1,1,3,3-tetramethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430814
6-chloro-N-(1,1-dimethylethyl)-n-ethyl-1,3,5-triazine-2,4-diamine
CID 87385751
N-(tert-Butyl)-4-chloro-6-(1-piperidinyl)-1,3,5-triazin-2-amine
CID 535393
6-Chloro-2-tert.-butylamino-4-dimethylamino-[1,3,5]-triazine
CID 611806
n,n',n''-Tris(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4,6-triamine
CID 228132
N'-(tert-butyl)-6-chloro-N,N-diethyl-1,3,5-triazine-2,4-diamine
CID 754816
6-Chloro-N,N'-(1,2,2-trimethylpropyl)-[1,3,5]triazine-2,4-diamine
CID 6430818
6-Chloro-N^2^-propyl-N^4^-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
CID 80811630

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 14668398) is 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CCN(CC)c1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SBQBRWRMNMJVLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-8-21(9-2)13-18-11(16)17-12(19-13)20-15(6,7)10-14(3,4)5/h8-10H2,1-7H3,(H,17,18,19,20).
What are the key properties of 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 313.88 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,2-N-diethyl-4-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 14668398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).