[6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid

C15H13F3N4O3 — CID 135186043

IUPAC[6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1cc(Oc2ccc3[nH]ccc3c2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H12N4O.C2HF3O2/c14-7-10-6-13(17-8-16-10)18-11-1-2-12-9(5-11)3-4-15-12;3-2(4,5)1(6)7/h1-6,8,15H,7,14H2;(H,6,7)
InChIKeyRUVSYFYPOAZJAH-UHFFFAOYSA-N
MW354.29 g/mol
LogP2.84
Rot. Bonds3

About [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid

[6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid (PubChem CID 135186043) has the molecular formula C15H13F3N4O3 and a molecular weight of 354.29 g/mol. Its IUPAC name is [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name[6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid
PubChem CID135186043
Molecular FormulaC15H13F3N4O3
Molecular Weight354.29 g/mol
Exact Mass354.09
IUPAC Name[6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid
SMILESNCc1cc(Oc2ccc3[nH]ccc3c2)ncn1.O=C(O)C(F)(F)F
InChIInChI=1S/C13H12N4O.C2HF3O2/c14-7-10-6-13(17-8-16-10)18-11-1-2-12-9(5-11)3-4-15-12;3-2(4,5)1(6)7/h1-6,8,15H,7,14H2;(H,6,7)
InChIKeyRUVSYFYPOAZJAH-UHFFFAOYSA-N
XLogP2.84
TPSA114.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.29
LogP ≤ 52.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid?
The IUPAC name of [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid (CID 135186043) is [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid?
The canonical SMILES for [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid is NCc1cc(Oc2ccc3[nH]ccc3c2)ncn1.O=C(O)C(F)(F)F.
What is the InChIKey of [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid?
The InChIKey is RUVSYFYPOAZJAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O.C2HF3O2/c14-7-10-6-13(17-8-16-10)18-11-1-2-12-9(5-11)3-4-15-12;3-2(4,5)1(6)7/h1-6,8,15H,7,14H2;(H,6,7).
What are the key properties of [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid?
[6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid has a molecular weight of 354.29 g/mol, XLogP of 2.84, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 135186043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).