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

C17H24FN5 — CID 67605392

IUPAC2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CCCc1ccccc1)c1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5/c1-4-23(12-8-11-13-9-6-5-7-10-13)16-21-14(17(2,3)18)20-15(19)22-16/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyHSTHQRQQRLORIT-UHFFFAOYSA-N
MW317.41 g/mol
LogP3.12
Rot. Bonds7

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

2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine (PubChem CID 67605392) has the molecular formula C17H24FN5 and a molecular weight of 317.41 g/mol. Its IUPAC name is 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
PubChem CID67605392
Molecular FormulaC17H24FN5
Molecular Weight317.41 g/mol
Exact Mass317.20
IUPAC Name2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine
SMILESCCN(CCCc1ccccc1)c1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C17H24FN5/c1-4-23(12-8-11-13-9-6-5-7-10-13)16-21-14(17(2,3)18)20-15(19)22-16/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,19,20,21,22)
InChIKeyHSTHQRQQRLORIT-UHFFFAOYSA-N
XLogP3.12
TPSA67.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine (CID 67605392) is 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine is CCN(CCCc1ccccc1)c1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is HSTHQRQQRLORIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5/c1-4-23(12-8-11-13-9-6-5-7-10-13)16-21-14(17(2,3)18)20-15(19)22-16/h5-7,9-10H,4,8,11-12H2,1-3H3,(H2,19,20,21,22).
What are the key properties of 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine?
2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 317.41 g/mol, XLogP of 3.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-ethyl-6-(2-fluoropropan-2-yl)-2-N-(3-phenylpropyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 67605392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).