4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid

C18H27F3N4O3 — CID 155952169

IUPAC4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid
SMILESCC1(C)CN(c2nc(N)nc3c2CCCC3)CC(C)(C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4O.C2HF3O2/c1-15(2)9-20(10-16(3,4)21-15)13-11-7-5-6-8-12(11)18-14(17)19-13;3-2(4,5)1(6)7/h5-10H2,1-4H3,(H2,17,18,19);(H,6,7)
InChIKeySSZUCMJNYVEYDL-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.96
Rot. Bonds1

About 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid

4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid (PubChem CID 155952169) has the molecular formula C18H27F3N4O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid
PubChem CID155952169
Molecular FormulaC18H27F3N4O3
Molecular Weight404.43 g/mol
Exact Mass404.20
IUPAC Name4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid
SMILESCC1(C)CN(c2nc(N)nc3c2CCCC3)CC(C)(C)O1.O=C(O)C(F)(F)F
InChIInChI=1S/C16H26N4O.C2HF3O2/c1-15(2)9-20(10-16(3,4)21-15)13-11-7-5-6-8-12(11)18-14(17)19-13;3-2(4,5)1(6)7/h5-10H2,1-4H3,(H2,17,18,19);(H,6,7)
InChIKeySSZUCMJNYVEYDL-UHFFFAOYSA-N
XLogP2.96
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid?
The IUPAC name of 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid (CID 155952169) is 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid is CC1(C)CN(c2nc(N)nc3c2CCCC3)CC(C)(C)O1.O=C(O)C(F)(F)F.
What is the InChIKey of 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid?
The InChIKey is SSZUCMJNYVEYDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O.C2HF3O2/c1-15(2)9-20(10-16(3,4)21-15)13-11-7-5-6-8-12(11)18-14(17)19-13;3-2(4,5)1(6)7/h5-10H2,1-4H3,(H2,17,18,19);(H,6,7).
What are the key properties of 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid?
4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid has a molecular weight of 404.43 g/mol, XLogP of 2.96, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2,6,6-tetramethylmorpholin-4-yl)-5,6,7,8-tetrahydroquinazolin-2-amine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155952169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).