4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine

C10H15ClN4 — CID 83240446

IUPAC4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CC2CCCCC2)n1
InChIInChI=1S/C10H15ClN4/c11-9-13-8(14-10(12)15-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,12,13,14,15)
InChIKeyVXVKUPRXJYLOED-UHFFFAOYSA-N
MW226.71 g/mol
LogP2.23
Rot. Bonds2

About 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine

4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine (PubChem CID 83240446) has the molecular formula C10H15ClN4 and a molecular weight of 226.71 g/mol. Its IUPAC name is 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine
PubChem CID83240446
Molecular FormulaC10H15ClN4
Molecular Weight226.71 g/mol
Exact Mass226.10
IUPAC Name4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine
SMILESNc1nc(Cl)nc(CC2CCCCC2)n1
InChIInChI=1S/C10H15ClN4/c11-9-13-8(14-10(12)15-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,12,13,14,15)
InChIKeyVXVKUPRXJYLOED-UHFFFAOYSA-N
XLogP2.23
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.71
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine (CID 83240446) is 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine is Nc1nc(Cl)nc(CC2CCCCC2)n1.
What is the InChIKey of 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine?
The InChIKey is VXVKUPRXJYLOED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClN4/c11-9-13-8(14-10(12)15-9)6-7-4-2-1-3-5-7/h7H,1-6H2,(H2,12,13,14,15).
What are the key properties of 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine?
4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine has a molecular weight of 226.71 g/mol, XLogP of 2.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(cyclohexylmethyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 83240446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).