6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine

C15H28ClN5 — CID 6430816

IUPAC6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CCC)n1
InChIInChI=1S/C15H28ClN5/c1-7-9-14(3,4)20-12-17-11(16)18-13(19-12)21-15(5,6)10-8-2/h7-10H2,1-6H3,(H2,17,18,19,20,21)
InChIKeyZBYDEMSHEGHUSN-UHFFFAOYSA-N
MW313.88 g/mol
LogP4.51
Rot. Bonds8

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

6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 6430816) has the molecular formula C15H28ClN5 and a molecular weight of 313.88 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID6430816
Molecular FormulaC15H28ClN5
Molecular Weight313.88 g/mol
Exact Mass313.20
IUPAC Name6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CCC)n1
InChIInChI=1S/C15H28ClN5/c1-7-9-14(3,4)20-12-17-11(16)18-13(19-12)21-15(5,6)10-8-2/h7-10H2,1-6H3,(H2,17,18,19,20,21)
InChIKeyZBYDEMSHEGHUSN-UHFFFAOYSA-N
XLogP4.51
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.88
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Related Compounds

Desethylterbuthylazine
CID 108201
1,3,5-Triazine-2,4-diamine, 6-chloro-N,N'-bis(1,1-dimethylethyl)-
CID 604080
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-(tert-Butyl)-4,6-dichloro-1,3,5-triazin-2-amine
CID 176454
6-Chloro-N,N'-(1,1,3,3-tetramethylbutyl)-[1,3,5]triazine-2,4-diamine
CID 6430814
N,N'-di-(t-butyl)melamine
CID 20532626
N,N',N''-Tris(tert-butyl)-1,3,5-triazine-2,4,6-triamine
CID 85354
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
6-Chloro-N,N'-(1,1-dimethylpropyl)-[1,3,5]triazine-2,4-diamine
CID 6430817

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine (CID 6430816) is 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is CCCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CCC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is ZBYDEMSHEGHUSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28ClN5/c1-7-9-14(3,4)20-12-17-11(16)18-13(19-12)21-15(5,6)10-8-2/h7-10H2,1-6H3,(H2,17,18,19,20,21).
What are the key properties of 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 313.88 g/mol, XLogP of 4.51, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N,4-N-bis(2-methylpentan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6430816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).