2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine

C8H11Cl2N3 — CID 101080048

IUPAC2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine
SMILESCC[C@H](C)Cc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3/c1-3-5(2)4-6-11-7(9)13-8(10)12-6/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyRWWJDXQDPDYVIO-YFKPBYRVSA-N
MW220.10 g/mol
LogP2.77
Rot. Bonds3

About 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine

2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine (PubChem CID 101080048) has the molecular formula C8H11Cl2N3 and a molecular weight of 220.10 g/mol. Its IUPAC name is 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine.

Molecular Properties

Compound Name2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine
PubChem CID101080048
Molecular FormulaC8H11Cl2N3
Molecular Weight220.10 g/mol
Exact Mass219.03
IUPAC Name2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine
SMILESCC[C@H](C)Cc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C8H11Cl2N3/c1-3-5(2)4-6-11-7(9)13-8(10)12-6/h5H,3-4H2,1-2H3/t5-/m0/s1
InChIKeyRWWJDXQDPDYVIO-YFKPBYRVSA-N
XLogP2.77
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.10
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
The IUPAC name of 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine (CID 101080048) is 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine.
What is the SMILES notation for 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
The canonical SMILES for 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine is CC[C@H](C)Cc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
The InChIKey is RWWJDXQDPDYVIO-YFKPBYRVSA-N. The full InChI is InChI=1S/C8H11Cl2N3/c1-3-5(2)4-6-11-7(9)13-8(10)12-6/h5H,3-4H2,1-2H3/t5-/m0/s1.
What are the key properties of 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine?
2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine has a molecular weight of 220.10 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-6-[(2S)-2-methylbutyl]-1,3,5-triazine is sourced from PubChem (CID 101080048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).