6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

C16H22FN5O — CID 15022777

IUPAC6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1
InChIInChI=1S/C16H22FN5O/c1-10-6-5-7-12(8-10)23-9-11(2)19-15-21-13(16(3,4)17)20-14(18)22-15/h5-8,11H,9H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyGAGCIWKAALZLSU-UHFFFAOYSA-N
MW319.38 g/mol
LogP2.85
Rot. Bonds6

About 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine

6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 15022777) has the molecular formula C16H22FN5O and a molecular weight of 319.38 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID15022777
Molecular FormulaC16H22FN5O
Molecular Weight319.38 g/mol
Exact Mass319.18
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCc1cccc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1
InChIInChI=1S/C16H22FN5O/c1-10-6-5-7-12(8-10)23-9-11(2)19-15-21-13(16(3,4)17)20-14(18)22-15/h5-8,11H,9H2,1-4H3,(H3,18,19,20,21,22)
InChIKeyGAGCIWKAALZLSU-UHFFFAOYSA-N
XLogP2.85
TPSA85.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.38
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine (CID 15022777) is 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is Cc1cccc(OCC(C)Nc2nc(N)nc(C(C)(C)F)n2)c1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is GAGCIWKAALZLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5O/c1-10-6-5-7-12(8-10)23-9-11(2)19-15-21-13(16(3,4)17)20-14(18)22-15/h5-8,11H,9H2,1-4H3,(H3,18,19,20,21,22).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 319.38 g/mol, XLogP of 2.85, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-[1-(3-methylphenoxy)propan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 15022777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).