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

C13H24ClN5 — CID 154289566

IUPAC6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCNc1nc(Cl)nc(NCCC(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-9(2)5-7-15-12-17-11(14)18-13(19-12)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyUHMGMWPJXAKMRM-UHFFFAOYSA-N
MW285.82 g/mol
LogP3.44
Rot. Bonds8

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

6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine (PubChem CID 154289566) 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(3-methylbutyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
PubChem CID154289566
Molecular FormulaC13H24ClN5
Molecular Weight285.82 g/mol
Exact Mass285.17
IUPAC Name6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine
SMILESCC(C)CCNc1nc(Cl)nc(NCCC(C)C)n1
InChIInChI=1S/C13H24ClN5/c1-9(2)5-7-15-12-17-11(14)18-13(19-12)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19)
InChIKeyUHMGMWPJXAKMRM-UHFFFAOYSA-N
XLogP3.44
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.82
LogP ≤ 53.44
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(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine (CID 154289566) is 6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine is CC(C)CCNc1nc(Cl)nc(NCCC(C)C)n1.
What is the InChIKey of 6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is UHMGMWPJXAKMRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24ClN5/c1-9(2)5-7-15-12-17-11(14)18-13(19-12)16-8-6-10(3)4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18,19).
What are the key properties of 6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine?
6-chloro-2-N,4-N-bis(3-methylbutyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 285.82 g/mol, XLogP of 3.44, 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(3-methylbutyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 154289566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).