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

C16H22FN5 — CID 10870409

IUPAC6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C16H22FN5/c1-11(9-10-12-7-5-4-6-8-12)19-15-21-13(16(2,3)17)20-14(18)22-15/h4-8,11H,9-10H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyYBWNHKQGWZMPPO-UHFFFAOYSA-N
MW303.38 g/mol
LogP3.09
Rot. Bonds6

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

6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 10870409) has the molecular formula C16H22FN5 and a molecular weight of 303.38 g/mol. Its IUPAC name is 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID10870409
Molecular FormulaC16H22FN5
Molecular Weight303.38 g/mol
Exact Mass303.19
IUPAC Name6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1
InChIInChI=1S/C16H22FN5/c1-11(9-10-12-7-5-4-6-8-12)19-15-21-13(16(2,3)17)20-14(18)22-15/h4-8,11H,9-10H2,1-3H3,(H3,18,19,20,21,22)
InChIKeyYBWNHKQGWZMPPO-UHFFFAOYSA-N
XLogP3.09
TPSA76.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine (CID 10870409) is 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine is CC(CCc1ccccc1)Nc1nc(N)nc(C(C)(C)F)n1.
What is the InChIKey of 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is YBWNHKQGWZMPPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN5/c1-11(9-10-12-7-5-4-6-8-12)19-15-21-13(16(2,3)17)20-14(18)22-15/h4-8,11H,9-10H2,1-3H3,(H3,18,19,20,21,22).
What are the key properties of 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 303.38 g/mol, XLogP of 3.09, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoropropan-2-yl)-2-N-(4-phenylbutan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 10870409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).