5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

C14H11F3N4 — CID 155799174

IUPAC5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1ncc(-c2cccc3cc[nH]c23)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)8-21-13-19-6-10(7-20-13)11-3-1-2-9-4-5-18-12(9)11/h1-7,18H,8H2,(H,19,20,21)
InChIKeyINOZBAIUKBEWTB-UHFFFAOYSA-N
MW292.26 g/mol
LogP3.60
Rot. Bonds3

About 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine

5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (PubChem CID 155799174) has the molecular formula C14H11F3N4 and a molecular weight of 292.26 g/mol. Its IUPAC name is 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
PubChem CID155799174
Molecular FormulaC14H11F3N4
Molecular Weight292.26 g/mol
Exact Mass292.09
IUPAC Name5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
SMILESFC(F)(F)CNc1ncc(-c2cccc3cc[nH]c23)cn1
InChIInChI=1S/C14H11F3N4/c15-14(16,17)8-21-13-19-6-10(7-20-13)11-3-1-2-9-4-5-18-12(9)11/h1-7,18H,8H2,(H,19,20,21)
InChIKeyINOZBAIUKBEWTB-UHFFFAOYSA-N
XLogP3.60
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.26
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The IUPAC name of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine (CID 155799174) is 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The canonical SMILES for 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is FC(F)(F)CNc1ncc(-c2cccc3cc[nH]c23)cn1.
What is the InChIKey of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
The InChIKey is INOZBAIUKBEWTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N4/c15-14(16,17)8-21-13-19-6-10(7-20-13)11-3-1-2-9-4-5-18-12(9)11/h1-7,18H,8H2,(H,19,20,21).
What are the key properties of 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine?
5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine has a molecular weight of 292.26 g/mol, XLogP of 3.60, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-7-yl)-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine is sourced from PubChem (CID 155799174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).