2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

C18H24FN5 — CID 67072973

IUPAC2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1
InChIInChI=1S/C18H24FN5/c1-12(19)16-22-17(20)24-18(23-16)21-15(14-8-5-9-14)11-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H3,20,21,22,23,24)/t12-,15?/m1/s1
InChIKeyOKLYIHQCSSPSQB-KEKZHRQWSA-N
MW329.42 g/mol
LogP3.70
Rot. Bonds7

About 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine

2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (PubChem CID 67072973) has the molecular formula C18H24FN5 and a molecular weight of 329.42 g/mol. Its IUPAC name is 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
PubChem CID67072973
Molecular FormulaC18H24FN5
Molecular Weight329.42 g/mol
Exact Mass329.20
IUPAC Name2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine
SMILESC[C@@H](F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1
InChIInChI=1S/C18H24FN5/c1-12(19)16-22-17(20)24-18(23-16)21-15(14-8-5-9-14)11-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H3,20,21,22,23,24)/t12-,15?/m1/s1
InChIKeyOKLYIHQCSSPSQB-KEKZHRQWSA-N
XLogP3.70
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine (CID 67072973) is 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is C[C@@H](F)c1nc(N)nc(NC(CCc2ccccc2)C2CCC2)n1.
What is the InChIKey of 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
The InChIKey is OKLYIHQCSSPSQB-KEKZHRQWSA-N. The full InChI is InChI=1S/C18H24FN5/c1-12(19)16-22-17(20)24-18(23-16)21-15(14-8-5-9-14)11-10-13-6-3-2-4-7-13/h2-4,6-7,12,14-15H,5,8-11H2,1H3,(H3,20,21,22,23,24)/t12-,15?/m1/s1.
What are the key properties of 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine?
2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine has a molecular weight of 329.42 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(1-cyclobutyl-3-phenylpropyl)-6-[(1R)-1-fluoroethyl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67072973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).