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

C13H24ClN5 — CID 6430817

IUPAC6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CC)n1
InChIInChI=1S/C13H24ClN5/c1-7-12(3,4)18-10-15-9(14)16-11(17-10)19-13(5,6)8-2/h7-8H2,1-6H3,(H2,15,16,17,18,19)
InChIKeySPRRQTAXTOUPFY-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.73
Rot. Bonds6

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

6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 6430817) has the molecular formula C13H24ClN5 and a molecular weight of 285.82 g/mol. Its IUPAC name is 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID6430817
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CC)n1
InChIInChI=1S/C13H24ClN5/c1-7-12(3,4)18-10-15-9(14)16-11(17-10)19-13(5,6)8-2/h7-8H2,1-6H3,(H2,15,16,17,18,19)
InChIKeySPRRQTAXTOUPFY-UHFFFAOYSA-N
XLogP3.73
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 6430817) is 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CCC(C)(C)Nc1nc(Cl)nc(NC(C)(C)CC)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is SPRRQTAXTOUPFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-7-12(3,4)18-10-15-9(14)16-11(17-10)19-13(5,6)8-2/h7-8H2,1-6H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(2-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.82 g/mol, XLogP of 3.73, 6 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-methylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 6430817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).