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

C14H26ClN5 — CID 80811630

IUPAC6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C14H26ClN5/c1-7-8-16-11-17-10(15)18-12(19-11)20-14(5,6)9-13(2,3)4/h7-9H2,1-6H3,(H2,16,17,18,19,20)
InChIKeyHEHQFXIQGYSPKP-UHFFFAOYSA-N
MW299.85 g/mol
LogP3.97
Rot. Bonds6

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

6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 80811630) has the molecular formula C14H26ClN5 and a molecular weight of 299.85 g/mol. Its IUPAC name is 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID80811630
Molecular FormulaC14H26ClN5
Molecular Weight299.85 g/mol
Exact Mass299.19
IUPAC Name6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCNc1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1
InChIInChI=1S/C14H26ClN5/c1-7-8-16-11-17-10(15)18-12(19-11)20-14(5,6)9-13(2,3)4/h7-9H2,1-6H3,(H2,16,17,18,19,20)
InChIKeyHEHQFXIQGYSPKP-UHFFFAOYSA-N
XLogP3.97
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.85
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Terbuthylazine
CID 22206
Sebuthylazine
CID 23712
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
N-tert-Butyl-6-chloro-N'-cyclohexyl-[1,3,5]triazine-2,4-diamine
CID 535317
1,3,5-Triazine-2,4-diamine, 6-chloro-N2-(1,2-dimethylpropyl)-N4-ethyl-
CID 56843875
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
6-Chloro-N,N'-(1-methylpropyl)-[1,3,5]triazine-2,4-diamine
CID 3089147
6-Chloro-N,N'-(1,1,3,3-tetramethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430814
s-Triazine, 2-chloro, 4-(1-methylethyl)amino-6-(1,1-dimethylethyl)amino
CID 6427183
Terbuthylazine-(ethyl-d5)
CID 102211220

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 80811630) is 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CCCNc1nc(Cl)nc(NC(C)(C)CC(C)(C)C)n1.
What is the InChIKey of 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HEHQFXIQGYSPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26ClN5/c1-7-8-16-11-17-10(15)18-12(19-11)20-14(5,6)9-13(2,3)4/h7-9H2,1-6H3,(H2,16,17,18,19,20).
What are the key properties of 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 299.85 g/mol, XLogP of 3.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-propyl-2-N-(2,4,4-trimethylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 80811630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).