4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine

C10H16Cl2N4 — CID 6430810

IUPAC4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H16Cl2N4/c1-6(2)5-10(3,4)16-9-14-7(11)13-8(12)15-9/h6H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyMVOSQYGIRXHRPQ-UHFFFAOYSA-N
MW263.17 g/mol
LogP3.41
Rot. Bonds4

About 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine

4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine (PubChem CID 6430810) has the molecular formula C10H16Cl2N4 and a molecular weight of 263.17 g/mol. Its IUPAC name is 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine
PubChem CID6430810
Molecular FormulaC10H16Cl2N4
Molecular Weight263.17 g/mol
Exact Mass262.08
IUPAC Name4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine
SMILESCC(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1
InChIInChI=1S/C10H16Cl2N4/c1-6(2)5-10(3,4)16-9-14-7(11)13-8(12)15-9/h6H,5H2,1-4H3,(H,13,14,15,16)
InChIKeyMVOSQYGIRXHRPQ-UHFFFAOYSA-N
XLogP3.41
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.17
LogP ≤ 53.41
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-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine (CID 6430810) is 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine is CC(C)CC(C)(C)Nc1nc(Cl)nc(Cl)n1.
What is the InChIKey of 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine?
The InChIKey is MVOSQYGIRXHRPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16Cl2N4/c1-6(2)5-10(3,4)16-9-14-7(11)13-8(12)15-9/h6H,5H2,1-4H3,(H,13,14,15,16).
What are the key properties of 4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine?
4,6-dichloro-N-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine has a molecular weight of 263.17 g/mol, XLogP of 3.41, 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-(2,4-dimethylpentan-2-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 6430810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).