4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine

C14H15Cl2N5 — CID 79781409

IUPAC4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ncc(Cl)cc2Cl)nc(C2CCCCC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-9-6-10(16)11(18-7-9)13-19-12(20-14(17)21-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,17,19,20,21)
InChIKeyNGRZIZAKYKJPHO-UHFFFAOYSA-N
MW324.22 g/mol
LogP3.87
Rot. Bonds2

About 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine

4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine (PubChem CID 79781409) has the molecular formula C14H15Cl2N5 and a molecular weight of 324.22 g/mol. Its IUPAC name is 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine
PubChem CID79781409
Molecular FormulaC14H15Cl2N5
Molecular Weight324.22 g/mol
Exact Mass323.07
IUPAC Name4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine
SMILESNc1nc(-c2ncc(Cl)cc2Cl)nc(C2CCCCC2)n1
InChIInChI=1S/C14H15Cl2N5/c15-9-6-10(16)11(18-7-9)13-19-12(20-14(17)21-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,17,19,20,21)
InChIKeyNGRZIZAKYKJPHO-UHFFFAOYSA-N
XLogP3.87
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine (CID 79781409) is 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine is Nc1nc(-c2ncc(Cl)cc2Cl)nc(C2CCCCC2)n1.
What is the InChIKey of 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine?
The InChIKey is NGRZIZAKYKJPHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N5/c15-9-6-10(16)11(18-7-9)13-19-12(20-14(17)21-13)8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,17,19,20,21).
What are the key properties of 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine?
4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine has a molecular weight of 324.22 g/mol, XLogP of 3.87, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-(3,5-dichloro-2-pyridinyl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 79781409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).