6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine

C16H22FN5 — CID 70273480

IUPAC6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CF)c1nc(N)nc(N(C)CCCc2ccccc2)n1
InChIInChI=1S/C16H22FN5/c1-12(11-17)14-19-15(18)21-16(20-14)22(2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyKAQIUNDXZNQOFQ-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.60
Rot. Bonds7

About 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine

6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 70273480) has the molecular formula C16H22FN5 and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID70273480
Molecular FormulaC16H22FN5
Molecular Weight303.38 g/mol
Exact Mass303.19
IUPAC Name6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCC(CF)c1nc(N)nc(N(C)CCCc2ccccc2)n1
InChIInChI=1S/C16H22FN5/c1-12(11-17)14-19-15(18)21-16(20-14)22(2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,18,19,20,21)
InChIKeyKAQIUNDXZNQOFQ-UHFFFAOYSA-N
XLogP2.60
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine (CID 70273480) is 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine is CC(CF)c1nc(N)nc(N(C)CCCc2ccccc2)n1.
What is the InChIKey of 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is KAQIUNDXZNQOFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/c1-12(11-17)14-19-15(18)21-16(20-14)22(2)10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-11H2,1-2H3,(H2,18,19,20,21).
What are the key properties of 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 303.38 g/mol, XLogP of 2.60, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-fluoropropan-2-yl)-2-N-methyl-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 70273480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).