4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine

C6H6Cl2N4 — CID 22254066

IUPAC4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C6H6Cl2N4/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H,9,10,11,12)
InChIKeyBFZPFVIKDQXXKY-UHFFFAOYSA-N
MW205.05 g/mol
LogP1.75
Rot. Bonds2

About 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine

4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine (PubChem CID 22254066) has the molecular formula C6H6Cl2N4 and a molecular weight of 205.05 g/mol. Its IUPAC name is 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
PubChem CID22254066
Molecular FormulaC6H6Cl2N4
Molecular Weight205.05 g/mol
Exact Mass204.00
IUPAC Name4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine
SMILESClc1nc(Cl)nc(NC2CC2)n1
InChIInChI=1S/C6H6Cl2N4/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H,9,10,11,12)
InChIKeyBFZPFVIKDQXXKY-UHFFFAOYSA-N
XLogP1.75
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.05
LogP ≤ 51.75
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-cyclopropyl-1,3,5-triazin-2-amine?
The IUPAC name of 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine (CID 22254066) is 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The canonical SMILES for 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine is Clc1nc(Cl)nc(NC2CC2)n1.
What is the InChIKey of 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine?
The InChIKey is BFZPFVIKDQXXKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6Cl2N4/c7-4-10-5(8)12-6(11-4)9-3-1-2-3/h3H,1-2H2,(H,9,10,11,12).
What are the key properties of 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine?
4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine has a molecular weight of 205.05 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-N-cyclopropyl-1,3,5-triazin-2-amine is sourced from PubChem (CID 22254066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).