4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine

C8H12Cl2N4 — CID 11096552

IUPAC4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCN(c1nc(Cl)nc(Cl)n1)C(C)C
InChIInChI=1S/C8H12Cl2N4/c1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3
InChIKeyCGEYIGLEECIFTM-UHFFFAOYSA-N
MW235.12 g/mol
LogP2.41
Rot. Bonds3

About 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine

4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine (PubChem CID 11096552) has the molecular formula C8H12Cl2N4 and a molecular weight of 235.12 g/mol. Its IUPAC name is 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine
PubChem CID11096552
Molecular FormulaC8H12Cl2N4
Molecular Weight235.12 g/mol
Exact Mass234.04
IUPAC Name4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine
SMILESCCN(c1nc(Cl)nc(Cl)n1)C(C)C
InChIInChI=1S/C8H12Cl2N4/c1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3
InChIKeyCGEYIGLEECIFTM-UHFFFAOYSA-N
XLogP2.41
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine (CID 11096552) is 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine is CCN(c1nc(Cl)nc(Cl)n1)C(C)C.
What is the InChIKey of 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
The InChIKey is CGEYIGLEECIFTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12Cl2N4/c1-4-14(5(2)3)8-12-6(9)11-7(10)13-8/h5H,4H2,1-3H3.
What are the key properties of 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine?
4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine has a molecular weight of 235.12 g/mol, XLogP of 2.41, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-ethyl-N-propan-2-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 11096552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).