2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

C15H18FN5 — CID 15544877

IUPAC2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(c2ccccc2)C2CC2)n1
InChIInChI=1S/C15H18FN5/c1-9(16)13-19-14(17)21-15(20-13)18-12(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H3,17,18,19,20,21)
InChIKeyFZWGGLKLMKRLHY-UHFFFAOYSA-N
MW287.34 g/mol
LogP3.05
Rot. Bonds5

About 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine

2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 15544877) has the molecular formula C15H18FN5 and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
PubChem CID15544877
Molecular FormulaC15H18FN5
Molecular Weight287.34 g/mol
Exact Mass287.15
IUPAC Name2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine
SMILESCC(F)c1nc(N)nc(NC(c2ccccc2)C2CC2)n1
InChIInChI=1S/C15H18FN5/c1-9(16)13-19-14(17)21-15(20-13)18-12(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H3,17,18,19,20,21)
InChIKeyFZWGGLKLMKRLHY-UHFFFAOYSA-N
XLogP3.05
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine (CID 15544877) is 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is CC(F)c1nc(N)nc(NC(c2ccccc2)C2CC2)n1.
What is the InChIKey of 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FZWGGLKLMKRLHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN5/c1-9(16)13-19-14(17)21-15(20-13)18-12(11-7-8-11)10-5-3-2-4-6-10/h2-6,9,11-12H,7-8H2,1H3,(H3,17,18,19,20,21).
What are the key properties of 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine?
2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 287.34 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[cyclopropyl(phenyl)methyl]-6-(1-fluoroethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15544877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).