4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine

C15H16Cl2N4 — CID 63868750

IUPAC4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccc(Cl)c(Cl)c2)nc(C2CCCC2)n1
InChIInChI=1S/C15H16Cl2N4/c16-11-6-5-9(7-12(11)17)8-13-19-14(21-15(18)20-13)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,18,19,20,21)
InChIKeyVCHHNGWIFUSIJN-UHFFFAOYSA-N
MW323.23 g/mol
LogP4.01
Rot. Bonds3

About 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine

4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 63868750) has the molecular formula C15H16Cl2N4 and a molecular weight of 323.23 g/mol. Its IUPAC name is 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID63868750
Molecular FormulaC15H16Cl2N4
Molecular Weight323.23 g/mol
Exact Mass322.08
IUPAC Name4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine
SMILESNc1nc(Cc2ccc(Cl)c(Cl)c2)nc(C2CCCC2)n1
InChIInChI=1S/C15H16Cl2N4/c16-11-6-5-9(7-12(11)17)8-13-19-14(21-15(18)20-13)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,18,19,20,21)
InChIKeyVCHHNGWIFUSIJN-UHFFFAOYSA-N
XLogP4.01
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine (CID 63868750) is 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine is Nc1nc(Cc2ccc(Cl)c(Cl)c2)nc(C2CCCC2)n1.
What is the InChIKey of 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is VCHHNGWIFUSIJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N4/c16-11-6-5-9(7-12(11)17)8-13-19-14(21-15(18)20-13)10-3-1-2-4-10/h5-7,10H,1-4,8H2,(H2,18,19,20,21).
What are the key properties of 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine?
4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 323.23 g/mol, XLogP of 4.01, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-[(3,4-dichlorophenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63868750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).