4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine

C17H22N4 — CID 63867304

IUPAC4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine
SMILESCCC(CC)(c1ccccc1)c1nc(N)nc(C2CC2)n1
InChIInChI=1S/C17H22N4/c1-3-17(4-2,13-8-6-5-7-9-13)15-19-14(12-10-11-12)20-16(18)21-15/h5-9,12H,3-4,10-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyUAAGQGPGQZDGKJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.44
Rot. Bonds5

About 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine

4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine (PubChem CID 63867304) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine
PubChem CID63867304
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine
SMILESCCC(CC)(c1ccccc1)c1nc(N)nc(C2CC2)n1
InChIInChI=1S/C17H22N4/c1-3-17(4-2,13-8-6-5-7-9-13)15-19-14(12-10-11-12)20-16(18)21-15/h5-9,12H,3-4,10-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyUAAGQGPGQZDGKJ-UHFFFAOYSA-N
XLogP3.44
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine?
The IUPAC name of 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine (CID 63867304) is 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine?
The canonical SMILES for 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine is CCC(CC)(c1ccccc1)c1nc(N)nc(C2CC2)n1.
What is the InChIKey of 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine?
The InChIKey is UAAGQGPGQZDGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-17(4-2,13-8-6-5-7-9-13)15-19-14(12-10-11-12)20-16(18)21-15/h5-9,12H,3-4,10-11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine?
4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-6-(3-phenylpentan-3-yl)-1,3,5-triazin-2-amine is sourced from PubChem (CID 63867304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).