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

C17H22N4 — CID 63867001

IUPAC4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(Cc2nc(N)nc(C3CCCC3)n2)c1
InChIInChI=1S/C17H22N4/c1-11-7-12(2)9-13(8-11)10-15-19-16(21-17(18)20-15)14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyBGFJKSQGVDMQGK-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.32
Rot. Bonds3

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

4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine (PubChem CID 63867001) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
PubChem CID63867001
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine
SMILESCc1cc(C)cc(Cc2nc(N)nc(C3CCCC3)n2)c1
InChIInChI=1S/C17H22N4/c1-11-7-12(2)9-13(8-11)10-15-19-16(21-17(18)20-15)14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3,(H2,18,19,20,21)
InChIKeyBGFJKSQGVDMQGK-UHFFFAOYSA-N
XLogP3.32
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine (CID 63867001) is 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine is Cc1cc(C)cc(Cc2nc(N)nc(C3CCCC3)n2)c1.
What is the InChIKey of 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine?
The InChIKey is BGFJKSQGVDMQGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11-7-12(2)9-13(8-11)10-15-19-16(21-17(18)20-15)14-5-3-4-6-14/h7-9,14H,3-6,10H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine?
4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.32, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopentyl-6-[(3,5-dimethylphenyl)methyl]-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).