4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine

C13H14Cl2N4 — CID 114156465

IUPAC4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
SMILESCC(C)(CNc1nc(Cl)nc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H14Cl2N4/c1-13(2,9-6-4-3-5-7-9)8-16-12-18-10(14)17-11(15)19-12/h3-7H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyMEORRHDTQAZBBO-UHFFFAOYSA-N
MW297.19 g/mol
LogP3.57
Rot. Bonds4

About 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine (PubChem CID 114156465) has the molecular formula C13H14Cl2N4 and a molecular weight of 297.19 g/mol. Its IUPAC name is 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
PubChem CID114156465
Molecular FormulaC13H14Cl2N4
Molecular Weight297.19 g/mol
Exact Mass296.06
IUPAC Name4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine
SMILESCC(C)(CNc1nc(Cl)nc(Cl)n1)c1ccccc1
InChIInChI=1S/C13H14Cl2N4/c1-13(2,9-6-4-3-5-7-9)8-16-12-18-10(14)17-11(15)19-12/h3-7H,8H2,1-2H3,(H,16,17,18,19)
InChIKeyMEORRHDTQAZBBO-UHFFFAOYSA-N
XLogP3.57
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.19
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine (CID 114156465) is 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine is CC(C)(CNc1nc(Cl)nc(Cl)n1)c1ccccc1.
What is the InChIKey of 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine?
The InChIKey is MEORRHDTQAZBBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N4/c1-13(2,9-6-4-3-5-7-9)8-16-12-18-10(14)17-11(15)19-12/h3-7H,8H2,1-2H3,(H,16,17,18,19).
What are the key properties of 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine has a molecular weight of 297.19 g/mol, XLogP of 3.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-(2-methyl-2-phenylpropyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 114156465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).